5-[(2R)-3-imidazol-1-yl-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 5-[(2R)-3-imidazol-1-yl-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-imidazol-1-yl-propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(1-imidazolyl)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-imidazol-1-ylpropyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-imidazol-1-yl-propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C19H18N5O2+ MolecularWeight: 348.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)CC(CN4C=CN=C4)O

Isomeric SMILES

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)C[C@H](CN4C=CN=C4)O

InChI

InChI=1S/C19H18N5O2/c1-13-8-18(26)24-17-5-3-2-4-16(17)23(19(24)15(13)9-20)11-14(25)10-22-7-6-21-12-22/h2-8,12,14,16,25H,10-11H2,1H3/q+1/t14-,16?/m0/s1