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

Systemtic Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclopropyl-p-anisyl-ammonium Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C(=O)OCC

InChI

InChI=1S/C21H29N3O4/c1-4-17-19(20(25)28-5-2)18(23-21(26)22-17)13-24(15-8-9-15)12-14-6-10-16(27-3)11-7-14/h6-7,10-11,15,17H,4-5,8-9,12-13H2,1-3H3,(H2,22,23,26)/p+1/t17-/m0/s1