(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(3-hydroxy-6-oxo-benzo[c]chromen-4-yl)methyl]ammonium CAS Name: (3-hydroxy-6-oxo-4-benzo[c][1]benzopyranyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(3-hydroxy-6-oxobenzo[c]chromen-4-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(3-hydroxy-6-keto-benzo[c]chromen-4-yl)methyl]ammonium Formula: C26H28N2O3+2 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)O)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)O)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O3/c29-24-11-10-21-20-8-4-5-9-22(20)26(30)31-25(21)23(24)16-27-19-12-14-28(15-13-19)17-18-6-2-1-3-7-18/h1-11,19,27,29H,12-17H2/p+2