3-methyl-5-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-1-oxidanylidene-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-1-oxidanylidene-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(C[NH+]4CCOCC4)O

Isomeric SMILES

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)C[C@H](C[NH+]4CCOCC4)O

InChI

InChI=1S/C20H22N4O3/c1-14-10-19(26)24-18-5-3-2-4-17(18)23(20(24)16(14)11-21)13-15(25)12-22-6-8-27-9-7-22/h2-5,10,15,25H,6-9,12-13H2,1H3/p+1/t15-/m0/s1