5,6-dimethoxy-3-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]inden-1-olate

Systemtic Name: 5,6-dimethoxy-3-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]inden-1-olate Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-3-oxo-inden-1-olate CAS Name: 5,6-dimethoxy-3-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-1-indenolate IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-3-oxoinden-1-olate Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-keto-5,6-dimethoxy-inden-1-olate Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C2=O)CC3CC[NH+](CC3)CC4=CC=CC=C4)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C2=O)CC3CC[NH+](CC3)CC4=CC=CC=C4)[O-])OC

InChI

InChI=1S/C24H27NO4/c1-28-21-13-18-19(14-22(21)29-2)24(27)20(23(18)26)12-16-8-10-25(11-9-16)15-17-6-4-3-5-7-17/h3-7,13-14,16,26H,8-12,15H2,1-2H3