2-methoxyethyl-[[3-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-(1-methylpiperidin-4-yl)azanium

Systemtic Name: 2-methoxyethyl-[[3-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-(1-methylpiperidin-4-yl)azanium Openeye Name: 2-methoxyethyl-[[3-(6-methyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-(1-methyl-4-piperidyl)ammonium CAS Name: 2-methoxyethyl-[[3-(6-methyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-(1-methyl-4-piperidinyl)ammonium IUPAC Name: 2-methoxyethyl-[[3-(6-methyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-(1-methylpiperidin-4-yl)azanium Traditional Name: [3-(4-keto-6-methyl-1H-pyrimidin-2-yl)benzyl]-(2-methoxyethyl)-(1-methyl-4-piperidyl)ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](CCOC)C3CCN(CC3)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](CCOC)C3CCN(CC3)C

InChI

InChI=1S/C21H30N4O2/c1-16-13-20(26)23-21(22-16)18-6-4-5-17(14-18)15-25(11-12-27-3)19-7-9-24(2)10-8-19/h4-6,13-14,19H,7-12,15H2,1-3H3,(H,22,23,26)/p+1