[5,6-dimethoxy-2-[[1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-3H-inden-1-yl] benzoate

Systemtic Name: [5,6-dimethoxy-2-[[1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-3H-inden-1-yl] benzoate Openeye Name: [2-[(1-benzyl-1-oxido-piperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-3H-inden-1-yl] benzoate CAS Name: benzoic acid [5,6-dimethoxy-2-[[1-oxido-1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-3H-inden-1-yl] ester IUPAC Name: [2-[(1-benzyl-1-oxidopiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-3H-inden-1-yl] benzoate Traditional Name: benzoic acid [2-[(1-benzyl-1-oxido-piperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-3H-inden-1-yl] ester Formula: C31H33NO5 MolecularWeight: 499.59742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=C2OC(=O)C3=CC=CC=C3)CC4CC[N+](CC4)(CC5=CC=CC=C5)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(=C2OC(=O)C3=CC=CC=C3)CC4CC[N+](CC4)(CC5=CC=CC=C5)[O-])OC

InChI

InChI=1S/C31H33NO5/c1-35-28-19-25-18-26(17-22-13-15-32(34,16-14-22)21-23-9-5-3-6-10-23)30(27(25)20-29(28)36-2)37-31(33)24-11-7-4-8-12-24/h3-12,19-20,22H,13-18,21H2,1-2H3