methyl 4-methoxy-3-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-methoxy-3-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4/c1-32-21-10-6-9-20-23(21)24(25(27-20)26(31)33-2)28-22(30)13-16-29-14-11-19(12-15-29)17-18-7-4-3-5-8-18/h3-10,19,27H,11-17H2,1-2H3,(H,28,30)/p+1