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

Systemtic Name: 5-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-hydroxy-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[(2R)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-hydroxypropyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-hydroxy-propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(CN2C3=CC=CC=C3N4C2=C(C(=CC4=O)C)C#N)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1C[C@@H](CN2C3=CC=CC=C3N4C2=C(C(=CC4=O)C)C#N)O

InChI

InChI=1S/C23H28N4O2/c1-3-17-8-6-7-11-25(17)14-18(28)15-26-20-9-4-5-10-21(20)27-22(29)12-16(2)19(13-24)23(26)27/h4-5,9-10,12,17-18,28H,3,6-8,11,14-15H2,1-2H3/p+1/t17-,18-/m0/s1