methyl 4-methyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-methyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 4-methyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C24H30N4O3+2 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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