N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C19H23BrN3O+ MolecularWeight: 389.30942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C19H22BrN3O/c1-15-6-2-3-7-16(15)14-22-10-12-23(13-11-22)19(24)21-18-9-5-4-8-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)/p+1