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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-phenylpentanoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phenyl-valeric acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-3-14(2)20(15-7-5-4-6-8-15)21(26)27-13-17-11-19(25)24-12-16(22)9-10-18(24)23-17/h4-12,14,20H,3,13H2,1-2H3/p+1/t14-,20-/m0/s1