[4-oxidanylidene-2-[4-[(4-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium

Systemtic Name: [4-oxidanylidene-2-[4-[(4-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium Openeye Name: [4-oxo-2-[4-[[4-(3-pyridyl)piperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium CAS Name: [4-oxo-2-[4-[[4-(3-pyridinyl)-1-piperazinyl]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium IUPAC Name: [4-oxo-2-[4-[(4-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium Traditional Name: [4-keto-2-[4-[[4-(3-pyridyl)piperazino]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium Formula: C21H25N6O+ MolecularWeight: 377.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C[NH3+])C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C[NH3+])C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O/c22-13-18-12-20(28)25-21(24-18)17-5-3-16(4-6-17)15-26-8-10-27(11-9-26)19-2-1-7-23-14-19/h1-7,12,14H,8-11,13,15,22H2,(H,24,25,28)/p+1