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

Systemtic Name: methyl 5-methyl-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-1H-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)NC(=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-17-8-9-20-19(14-17)22(23(25-20)24(30)31-2)26-21(29)16-28-12-10-27(11-13-28)15-18-6-4-3-5-7-18/h3-9,14,25H,10-13,15-16H2,1-2H3,(H,26,29)/p+1