5-ethyl-6-methyl-2-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[3-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O/c1-3-22-18(2)25-23(26-24(22)29)20-9-7-8-19(16-20)17-27-12-14-28(15-13-27)21-10-5-4-6-11-21/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,26,29)/p+1