(3-bromophenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromophenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H22BrN2O+ MolecularWeight: 374.29478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O/c1-15-4-2-5-16(12-15)14-21-8-10-22(11-9-21)19(23)17-6-3-7-18(20)13-17/h2-7,12-13H,8-11,14H2,1H3/p+1