methyl 3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1,4-dimethyl-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1,4-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1,4-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate Traditional Name: 3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylic acid methyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC)C

InChI

InChI=1S/C25H30N4O4/c1-17-8-7-10-19-22(17)23(24(27(19)2)25(31)33-4)26-21(30)16-28-12-14-29(15-13-28)18-9-5-6-11-20(18)32-3/h5-11H,12-16H2,1-4H3,(H,26,30)/p+1