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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH2+]C(C2=CC=CC=C2)C(C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH2+][C@H](C2=CC=CC=C2)C(C)C)C(=O)OCC

InChI

InChI=1S/C20H29N3O3/c1-5-15-17(19(24)26-6-2)16(23-20(25)22-15)12-21-18(13(3)4)14-10-8-7-9-11-14/h7-11,13,15,18,21H,5-6,12H2,1-4H3,(H2,22,23,25)/p+1/t15-,18-/m0/s1