(4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+](C)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)C[NH+](C)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H28N4O3/c1-6-26-18(24)17-13(2)20-19(25)21-16(17)12-23(5)11-14-7-9-15(10-8-14)22(3)4/h7-10,13H,6,11-12H2,1-5H3,(H2,20,21,25)/p+1/t13-/m0/s1