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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=C(CNC(=O)N2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=C(CNC(=O)N2)C(=O)OCC

InChI

InChI=1S/C20H29N3O3/c1-5-14-7-9-15(10-8-14)18(13(3)4)21-12-17-16(19(24)26-6-2)11-22-20(25)23-17/h7-10,13,18,21H,5-6,11-12H2,1-4H3,(H2,22,23,25)/p+1/t18-/m0/s1