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

Systemtic Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium Openeye Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium CAS Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium IUPAC Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium Traditional Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H31N2O/c1-3-4-5-6-7-14-21-16-17-22(18-21)15-8-9-19-10-12-20(23-2)13-11-19/h10-13,16-18H,3-9,14-15H2,1-2H3/q+1