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

Systemtic Name: methyl 4-methoxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O5+ MolecularWeight: 467.53744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(NC4=C3C(=CC=C4)OC)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(NC4=C3C(=CC=C4)OC)C(=O)OC

InChI

InChI=1S/C25H30N4O5/c1-32-19-9-5-4-8-18(19)29-15-13-28(14-16-29)12-11-21(30)27-23-22-17(7-6-10-20(22)33-2)26-24(23)25(31)34-3/h4-10,26H,11-16H2,1-3H3,(H,27,30)/p+1