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

Systemtic Name: 3-methyl-1-oxidanylidene-5-[(2R)-2-oxidanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H28N6O2+2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)CC(CN4CCN(CC4)C5=CC=CC=[NH+]5)O

Isomeric SMILES

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)C[C@@H](CN4CCN(CC4)C5=CC=CC=[NH+]5)O

InChI

InChI=1S/C25H27N6O2/c1-18-14-24(33)31-22-7-3-2-6-21(22)30(25(31)20(18)15-26)17-19(32)16-28-10-12-29(13-11-28)23-8-4-5-9-27-23/h2-9,14,19,21,32H,10-13,16-17H2,1H3/q+1/p+1/t19-,21?/m1/s1