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

Systemtic Name: methyl 4-methyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-methyl-3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-12-5-4-6-13-15(12)16(17(19-13)18(24)25-3)20-14(23)11-22-9-7-21(2)8-10-22/h4-6,19H,7-11H2,1-3H3,(H,20,23)/p+1