1-[5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C19H23N3O2/c1-14-5-3-4-6-16(14)13-21-7-9-22(10-8-21)19(24)18-11-17(12-20-18)15(2)23/h3-6,11-12,20H,7-10,13H2,1-2H3/p+1