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

Systemtic Name: methyl 5-methyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-16-8-9-19-18(14-16)21(22(24-19)23(29)30-2)25-20(28)15-26-10-12-27(13-11-26)17-6-4-3-5-7-17/h3-9,14,24H,10-13,15H2,1-2H3,(H,25,28)/p+1