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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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