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

Systemtic Name: (3,4-dichlorophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: (3,4-dichlorophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: (3,4-dichlorophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: (3,4-dichlorophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(3,4-dichlorobenzyl)-methyl-ammonium Formula: C18H24Cl2N3O3+ MolecularWeight: 401.30746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23Cl2N3O3/c1-4-14-16(17(24)26-5-2)15(22-18(25)21-14)10-23(3)9-11-6-7-12(19)13(20)8-11/h6-8,14H,4-5,9-10H2,1-3H3,(H2,21,22,25)/p+1/t14-/m0/s1