1-[(3-bromophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C19H24BrN2+ MolecularWeight: 360.31126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C19H23BrN2/c1-15-5-3-8-19(16(15)2)22-11-9-21(10-12-22)14-17-6-4-7-18(20)13-17/h3-8,13H,9-12,14H2,1-2H3/p+1