methyl 6-methyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 6-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 6-methyl-3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 6-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=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C

InChI

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