1-heptyl-3-[4-(4-methoxyphenyl)butyl]imidazol-1-ium

Systemtic Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]imidazol-1-ium Openeye Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]imidazol-1-ium CAS Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]imidazol-1-ium IUPAC Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]imidazol-1-ium Traditional Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]imidazol-1-ium Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H33N2O/c1-3-4-5-6-8-15-22-17-18-23(19-22)16-9-7-10-20-11-13-21(24-2)14-12-20/h11-14,17-19H,3-10,15-16H2,1-2H3/q+1