2-[5-(4-chlorophenyl)pentan-2-yl]-3-heptyl-1H-imidazol-3-ium

Systemtic Name: 2-[5-(4-chlorophenyl)pentan-2-yl]-3-heptyl-1H-imidazol-3-ium Openeye Name: 2-[4-(4-chlorophenyl)-1-methyl-butyl]-3-heptyl-1H-imidazol-3-ium CAS Name: 2-[5-(4-chlorophenyl)pentan-2-yl]-3-heptyl-1H-imidazol-3-ium IUPAC Name: 2-[5-(4-chlorophenyl)pentan-2-yl]-3-heptyl-1H-imidazol-3-ium Traditional Name: 2-[4-(4-chlorophenyl)-1-methyl-butyl]-3-heptyl-1H-imidazol-3-ium Formula: C21H32ClN2+ MolecularWeight: 347.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC=C1)C(C)CCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCC[N+]1=C(NC=C1)C(C)CCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H31ClN2/c1-3-4-5-6-7-16-24-17-15-23-21(24)18(2)9-8-10-19-11-13-20(22)14-12-19/h11-15,17-18H,3-10,16H2,1-2H3/p+1