N-[(4-bromophenyl)methyl]-3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-amine

Systemtic Name: N-[(4-bromophenyl)methyl]-3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-amine Openeye Name: N-[(4-bromophenyl)methyl]-3-isopentyl-4-phenyl-1H-imidazol-3-ium-2-amine CAS Name: N-[(4-bromophenyl)methyl]-3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-amine IUPAC Name: N-[(4-bromophenyl)methyl]-3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-amine Traditional Name: (4-bromobenzyl)-(3-isoamyl-4-phenyl-1H-imidazol-3-ium-2-yl)amine Formula: C21H25BrN3+ MolecularWeight: 399.3473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(NC=C1C2=CC=CC=C2)NCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CC[N+]1=C(NC=C1C2=CC=CC=C2)NCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3/c1-16(2)12-13-25-20(18-6-4-3-5-7-18)15-24-21(25)23-14-17-8-10-19(22)11-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,24)/p+1