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

Systemtic Name: 3-(3-methylbutyl)-N-[(4-methylsulfanylphenyl)methyl]-4-phenyl-1H-imidazol-3-ium-2-amine Openeye Name: 3-isopentyl-N-[(4-methylsulfanylphenyl)methyl]-4-phenyl-1H-imidazol-3-ium-2-amine CAS Name: 3-(3-methylbutyl)-N-[[4-(methylthio)phenyl]methyl]-4-phenyl-1H-imidazol-3-ium-2-amine IUPAC Name: 3-(3-methylbutyl)-N-[(4-methylsulfanylphenyl)methyl]-4-phenyl-1H-imidazol-3-ium-2-amine Traditional Name: (3-isoamyl-4-phenyl-1H-imidazol-3-ium-2-yl)-[4-(methylthio)benzyl]amine Formula: C22H28N3S+ MolecularWeight: 366.54282

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3S/c1-17(2)13-14-25-21(19-7-5-4-6-8-19)16-24-22(25)23-15-18-9-11-20(26-3)12-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,24)/p+1