4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-3-olate

Systemtic Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-3-olate Openeye Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-3-olate CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-1-phenethyl-3-pyrido[1,2-a]pyrimidin-5-iumolate IUPAC Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-1-phenethylpyrido[1,2-a]pyrimidin-5-ium-3-olate Traditional Name: 2-keto-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-phenethyl-pyrido[1,2-a]pyrimidin-5-ium-3-olate Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1