5-[4-(2,4-dipentylphenoxy)butyl]-1-methyl-imidazo[4,5-c]pyridin-5-ium

Systemtic Name: 5-[4-(2,4-dipentylphenoxy)butyl]-1-methyl-imidazo[4,5-c]pyridin-5-ium Openeye Name: 5-[4-(2,4-dipentylphenoxy)butyl]-1-methyl-imidazo[4,5-c]pyridin-5-ium CAS Name: 5-[4-(2,4-dipentylphenoxy)butyl]-1-methylimidazo[4,5-c]pyridin-5-ium IUPAC Name: 5-[4-(2,4-dipentylphenoxy)butyl]-1-methylimidazo[4,5-c]pyridin-5-ium Traditional Name: 5-[4-(2,4-diamylphenoxy)butyl]-1-methyl-imidazo[4,5-c]pyridin-5-ium Formula: C27H40N3O+ MolecularWeight: 422.626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=CC3=C(C=C2)N(C=N3)C)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCC[N+]2=CC3=C(C=C2)N(C=N3)C)CCCCC

InChI

InChI=1S/C27H40N3O/c1-4-6-8-12-23-14-15-27(24(20-23)13-9-7-5-2)31-19-11-10-17-30-18-16-26-25(21-30)28-22-29(26)3/h14-16,18,20-22H,4-13,17,19H2,1-3H3/q+1