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

Systemtic Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](CC)CC2=CC=C(C=C2)N(C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](CC)CC2=CC=C(C=C2)N(C)C)C(=O)OCC

InChI

InChI=1S/C21H32N4O3/c1-6-17-19(20(26)28-8-3)18(23-21(27)22-17)14-25(7-2)13-15-9-11-16(12-10-15)24(4)5/h9-12,17H,6-8,13-14H2,1-5H3,(H2,22,23,27)/p+1/t17-/m0/s1