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

Systemtic Name: methyl 4-chloranyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H24ClN4O3+ MolecularWeight: 427.90396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O3/c1-30-22(29)21-20(19-16(23)8-5-9-17(19)24-21)25-18(28)14-26-10-12-27(13-11-26)15-6-3-2-4-7-15/h2-9,24H,10-14H2,1H3,(H,25,28)/p+1