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

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]ammonium IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH2+]C(C2=CC=C(C=C2)C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH2+][C@H](C2=CC=C(C=C2)C(C)C)C(C)C

InChI

InChI=1S/C21H31N3O3/c1-6-27-20(25)17-11-23-21(26)24-18(17)12-22-19(14(4)5)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,19,22H,6,11-12H2,1-5H3,(H2,23,24,26)/p+1/t19-/m0/s1