4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylate; 1-[(1E,3E)-5-(1-piperidin-1-iumylidene)penta-1,3-dienyl]piperidine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine Formula: C53H65N4O6+ MolecularWeight: 854.1064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=CC=CC=[N+]2CCCCC2.C1CCN(CC1)C=CC=CC=[N+]2CCCCC2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)/C=C/C=C/C=[N+]2CCCCC2.C1CCN(CC1)/C=C/C=C/C=[N+]2CCCCC2.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)O)CC3=C(C(=CC4=CC=CC=C34)C(=O)[O-])O

InChI

InChI=1S/C23H16O6.2C15H25N2/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*1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3,8-9,14-15H,1-2,4-7,10-13H2/q;2*+1/p-1