methyl 5-methyl-3-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H26N4O4/c1-16-8-9-19-18(14-16)21(22(25-19)24(31)32-2)26-20(29)15-27-10-12-28(13-11-27)23(30)17-6-4-3-5-7-17/h3-9,14,25H,10-13,15H2,1-2H3,(H,26,29)/p+1