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

Systemtic Name: methyl 1,4-dimethyl-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-1,4-dimethyl-indole-2-carboxylate CAS Name: 1,4-dimethyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-1,4-dimethyl-indole-2-carboxylic acid methyl ester Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C25H30N4O3/c1-18-8-7-11-20-22(18)23(24(27(20)2)25(31)32-3)26-21(30)17-29-14-12-28(13-15-29)16-19-9-5-4-6-10-19/h4-11H,12-17H2,1-3H3,(H,26,30)/p+1