4-[(3-carboxylato-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate; 4-methyl-1-[5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine

Systemtic Name: 4-[(3-carboxylato-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate; 4-methyl-1-[5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine Openeye Name: 4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylate; 4-methyl-1-[5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine CAS Name: 4-[(3-carboxylato-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylate; 4-methyl-1-[5-(4-methyl-1-piperidin-1-iumylidene)penta-1,3-dienyl]piperidine IUPAC Name: 4-[(3-carboxylato-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate; 4-methyl-1-[5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine Traditional Name: 4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoate; 4-methyl-1-[5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine Formula: C57H72N4O6 MolecularWeight: 909.20478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C=CC=CC=[N+]2CCC(CC2)C.CC1CCN(CC1)C=CC=CC=[N+]2CCC(CC2)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C=CC=CC=[N+]2CCC(CC2)C.CC1CCN(CC1)C=CC=CC=[N+]2CCC(CC2)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-]

InChI

InChI=1S/C23H16O6.2C17H29N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-16-6-12-18(13-7-16)10-4-3-5-11-19-14-8-17(2)9-15-19/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-5,10-11,16-17H,6-9,12-15H2,1-2H3/q;2*+1/p-2