[(3R)-3-cyano-5-(1-hexylbenzimidazol-2-yl)sulfanyl-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-(1-hexylbenzimidazol-2-yl)sulfanyl-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-4-(1-hexylbenzimidazol-2-yl)sulfanyl-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[(1-hexyl-2-benzimidazolyl)thio]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-(1-hexylbenzimidazol-2-yl)sulfanyl-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-3-[(1-hexylbenzimidazol-2-yl)thio]-2-keto-propyl]vinylammonium Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=C)[NH3+]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)[C@@H](C#N)C(=C)[NH3+]

InChI

InChI=1S/C19H24N4OS/c1-3-4-5-8-11-23-17-10-7-6-9-16(17)22-19(23)25-13-18(24)15(12-20)14(2)21/h6-7,9-10,15H,2-5,8,11,13,21H2,1H3/p+1/t15-/m0/s1