methyl 6-methoxy-3-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-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]-6-methoxy-1H-indole-2-carboxylate CAS Name: 6-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]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

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