4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-2-one

Systemtic Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-2-one Openeye Name: 3-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-2-one CAS Name: 3-hydroxy-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-phenethyl-2-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 3-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenethylpyrido[1,2-a]pyrimidin-5-ium-2-one Traditional Name: 3-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-2-one Formula: C22H29N4O2+3 MolecularWeight: 381.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C(=O)N(C3=CC=CC=[N+]32)CCC4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C(=O)N(C3=CC=CC=[N+]32)CCC4=CC=CC=C4)O

InChI

InChI=1S/C22H26N4O2/c1-23-13-15-24(16-14-23)17-19-21(27)22(28)26(20-9-5-6-11-25(19)20)12-10-18-7-3-2-4-8-18/h2-9,11H,10,12-17H2,1H3/p+3