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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

InChI

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