(3S)-1-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H23ClN4O2+2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O2/c22-16-8-9-19-23-18(11-20(27)26(19)13-16)14-25-10-4-5-15(12-25)21(28)24-17-6-2-1-3-7-17/h1-3,6-9,11,13,15H,4-5,10,12,14H2,(H,24,28)/p+2/t15-/m0/s1