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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-keto-2-(m-anisidino)ethyl]-methyl-ammonium Formula: C20H29N4O5+ MolecularWeight: 405.46806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)OC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)OC)C(=O)OCC

InChI

InChI=1S/C20H28N4O5/c1-5-15-18(19(26)29-6-2)16(23-20(27)22-15)11-24(3)12-17(25)21-13-8-7-9-14(10-13)28-4/h7-10,15H,5-6,11-12H2,1-4H3,(H,21,25)(H2,22,23,27)/p+1/t15-/m0/s1