[(3S)-1-[[2-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[[2-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[[2-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-3-piperidyl]-dimethyl-ammonium CAS Name: [(3S)-1-[[2-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-3-piperidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[[2-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[2-(6-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]-3-piperidyl]-dimethyl-ammonium Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=CC=C2CN3CCCC(C3)[NH+](C)C

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=CC=C2CN3CCC[C@@H](C3)[NH+](C)C

InChI

InChI=1S/C22H32N4O/c1-4-5-10-18-14-21(27)24-22(23-18)20-12-7-6-9-17(20)15-26-13-8-11-19(16-26)25(2)3/h6-7,9,12,14,19H,4-5,8,10-11,13,15-16H2,1-3H3,(H,23,24,27)/p+1/t19-/m0/s1