[(4S)-4-(2,4-dimethylphenyl)-5-methoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [(4S)-4-(2,4-dimethylphenyl)-5-methoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [(4S)-4-(2,4-dimethylphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [(4S)-4-(2,4-dimethylphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [(4S)-4-(2,4-dimethylphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [(4S)-5-carbomethoxy-4-(2,4-dimethylphenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H32N4O4+2 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)C[NH2+]CC[NH+]3CCOCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H]2C(=C(NC(=O)N2)C[NH2+]CC[NH+]3CCOCC3)C(=O)OC)C

InChI

InChI=1S/C21H30N4O4/c1-14-4-5-16(15(2)12-14)19-18(20(26)28-3)17(23-21(27)24-19)13-22-6-7-25-8-10-29-11-9-25/h4-5,12,19,22H,6-11,13H2,1-3H3,(H2,23,24,27)/p+2/t19-/m0/s1