3-(2-chloroethyl)-2-methyl-9-phenylmethoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-(2-chloroethyl)-2-methyl-9-phenylmethoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-benzyloxy-3-(2-chloroethyl)-2-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-(2-chloroethyl)-2-methyl-9-phenylmethoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-(2-chloroethyl)-2-methyl-9-phenylmethoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 9-benzoxy-3-(2-chloroethyl)-2-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H18ClN2O2+ MolecularWeight: 329.80072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=CC=CC(=C2N1)OCC3=CC=CC=C3)CCCl

Isomeric SMILES

CC1=C(C(=O)[N+]2=CC=CC(=C2N1)OCC3=CC=CC=C3)CCCl

InChI

InChI=1S/C18H17ClN2O2/c1-13-15(9-10-19)18(22)21-11-5-8-16(17(21)20-13)23-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3/p+1