2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

InChI

InChI=1S/C20H22N2O2/c1-4-15(3)17-7-5-6-8-18(17)24-13-16-11-20(23)22-12-14(2)9-10-19(22)21-16/h5-12,15H,4,13H2,1-3H3/p+1/t15-/m0/s1