2-[(2-butylbenzimidazol-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2-butylbenzimidazol-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-butylbenzimidazol-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(2-butyl-1-benzimidazolyl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-butylbenzimidazol-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2-butylbenzimidazol-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

InChI

InChI=1S/C21H22N4O/c1-3-4-9-19-23-17-7-5-6-8-18(17)24(19)14-16-12-21(26)25-13-15(2)10-11-20(25)22-16/h5-8,10-13H,3-4,9,14H2,1-2H3/p+1