2-(1-heptadecyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole

Systemtic Name: 2-(1-heptadecyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole Openeye Name: 2-(1-heptadecyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole CAS Name: 2-(1-heptadecyl-2-methyl-3-phenyl-5-benzimidazol-1-iumyl)-1,3-benzothiazole IUPAC Name: 2-(1-heptadecyl-2-methyl-3-phenylbenzimidazol-1-ium-5-yl)-1,3-benzothiazole Traditional Name: 2-(1-heptadecyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole Formula: C38H50N3S+ MolecularWeight: 580.8887

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[N+]1=C(N(C2=C1C=CC(=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC[N+]1=C(N(C2=C1C=CC(=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

InChI

InChI=1S/C38H50N3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-40-31(2)41(33-23-18-17-19-24-33)36-30-32(27-28-35(36)40)38-39-34-25-20-21-26-37(34)42-38/h17-21,23-28,30H,3-16,22,29H2,1-2H3/q+1