1-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)C=C1

InChI

InChI=1S/C22H24N4O2/c1-16-7-8-20-23-19(13-21(27)26(20)14-16)15-25-11-9-17(10-12-25)22(28)24-18-5-3-2-4-6-18/h2-8,13-14,17H,9-12,15H2,1H3,(H,24,28)/p+1