4-oxidanyl-1-[(E)-1-phenylbut-1-enyl]-3-(phenylmethyl)pyrido[1,2-a]pyrimidin-5-ium-2-one

Systemtic Name: 4-oxidanyl-1-[(E)-1-phenylbut-1-enyl]-3-(phenylmethyl)pyrido[1,2-a]pyrimidin-5-ium-2-one Openeye Name: 3-benzyl-4-hydroxy-1-[(E)-1-phenylbut-1-enyl]pyrido[1,2-a]pyrimidin-5-ium-2-one CAS Name: 4-hydroxy-1-[(E)-1-phenylbut-1-enyl]-3-(phenylmethyl)-2-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 3-benzyl-4-hydroxy-1-[(E)-1-phenylbut-1-enyl]pyrido[1,2-a]pyrimidin-5-ium-2-one Traditional Name: 3-benzyl-4-hydroxy-1-[(E)-1-phenylbut-1-enyl]pyrido[1,2-a]pyrimidin-5-ium-2-one Formula: C25H23N2O2+ MolecularWeight: 383.46232

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CC=CC=C1)N2C3=CC=CC=[N+]3C(=C(C2=O)CC4=CC=CC=C4)O

Isomeric SMILES

CC/C=C(\C1=CC=CC=C1)/N2C3=CC=CC=[N+]3C(=C(C2=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H22N2O2/c1-2-11-22(20-14-7-4-8-15-20)27-23-16-9-10-17-26(23)24(28)21(25(27)29)18-19-12-5-3-6-13-19/h3-17H,2,18H2,1H3/p+1/b22-11+