[(6S)-3-cyclopropyl-5-methoxycarbonyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidin-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(6S)-3-cyclopropyl-5-methoxycarbonyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidin-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(6S)-3-cyclopropyl-5-methoxycarbonyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [(6S)-3-cyclopropyl-5-methoxycarbonyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(6S)-3-cyclopropyl-5-methoxycarbonyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(6S)-5-carbomethoxy-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidin-4-yl]methyl-methyl-(2-thenyl)ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC2=C([C@@H](NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-24(13-17-9-6-12-29-17)14-18-19(21(26)28-2)20(15-7-4-3-5-8-15)23-22(27)25(18)16-10-11-16/h3-9,12,16,20H,10-11,13-14H2,1-2H3,(H,23,27)/p+1/t20-/m0/s1