4-hexadecyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazol-4-ium

Systemtic Name: 4-hexadecyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazol-4-ium Openeye Name: 4-hexadecyl-1-methyl-thiazolo[3,2-a]benzimidazol-4-ium CAS Name: 4-hexadecyl-1-methylthiazolo[3,2-a]benzimidazol-4-ium IUPAC Name: 4-hexadecyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazol-4-ium Traditional Name: 4-cetyl-1-methyl-thiazolo[3,2-a]benzimidazol-4-ium Formula: C26H41N2S+ MolecularWeight: 413.68214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C2N(C(=CS2)C)C3=CC=CC=C31

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C2N(C(=CS2)C)C3=CC=CC=C31

InChI

InChI=1S/C26H41N2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-24-19-16-17-20-25(24)28-23(2)22-29-26(27)28/h16-17,19-20,22H,3-15,18,21H2,1-2H3/q+1