(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(R)-(4-propylphenyl)-(2-thienyl)methyl]ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(R)-(4-propylphenyl)-(2-thienyl)methyl]ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C22H27N3O3S/c1-3-6-15-8-10-16(11-9-15)20(19-7-5-12-29-19)23-14-18-17(21(26)28-4-2)13-24-22(27)25-18/h5,7-12,20,23H,3-4,6,13-14H2,1-2H3,(H2,24,25,27)/p+1/t20-/m1/s1