2-[[4-chloranyl-2-(phenylmethyl)phenoxy]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-chloranyl-2-(phenylmethyl)phenoxy]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-benzyl-4-chloro-phenoxy)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-chloro-2-(phenylmethyl)phenoxy]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-benzyl-4-chlorophenoxy)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2-benzyl-4-chloro-phenoxy)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H20ClN2O2+ MolecularWeight: 391.8701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC3=C(C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC3=C(C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H19ClN2O2/c1-16-7-10-22-25-20(13-23(27)26(22)14-16)15-28-21-9-8-19(24)12-18(21)11-17-5-3-2-4-6-17/h2-10,12-14H,11,15H2,1H3/p+1