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

Systemtic Name: methyl 1,5-dimethyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]indole-2-carboxylate Openeye Name: methyl 1,5-dimethyl-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]indole-2-carboxylate CAS Name: 1,5-dimethyl-3-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1,5-dimethyl-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]indole-2-carboxylate Traditional Name: 1,5-dimethyl-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]indole-2-carboxylic acid methyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-17-9-10-20-19(15-17)22(23(26(20)2)24(30)31-3)25-21(29)16-27-11-13-28(14-12-27)18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)/p+1