methyl 5,6-dimethoxy-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H31N3O5/c1-32-21-14-19-20(15-22(21)33-2)27-25(26(31)34-3)24(19)28-23(30)16-29-11-9-18(10-12-29)13-17-7-5-4-6-8-17/h4-8,14-15,18,27H,9-13,16H2,1-3H3,(H,28,30)/p+1