[4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [4-(6-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)CC3CCCO3

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)C[C@H]3CCCO3

InChI

InChI=1S/C21H29N3O2/c1-3-4-6-18-13-20(25)23-21(22-18)17-10-8-16(9-11-17)14-24(2)15-19-7-5-12-26-19/h8-11,13,19H,3-7,12,14-15H2,1-2H3,(H,22,23,25)/p+1/t19-/m1/s1