[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-(4-methoxycarbonyl-2-methyl-phenyl)azanium

Systemtic Name: [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-(4-methoxycarbonyl-2-methyl-phenyl)azanium Openeye Name: [2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-(4-methoxycarbonyl-2-methyl-phenyl)ammonium CAS Name: [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(4-methoxycarbonyl-2-methylphenyl)ammonium IUPAC Name: [2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(4-methoxycarbonyl-2-methylphenyl)azanium Traditional Name: [2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-(4-carbomethoxy-2-methyl-phenyl)ammonium Formula: C22H22N3O3S2+ MolecularWeight: 440.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C22H21N3O3S2/c1-14-11-15(22(27)28-2)7-8-16(14)23-13-21(26)25-18(20-6-4-10-30-20)12-17(24-25)19-5-3-9-29-19/h3-11,18,23H,12-13H2,1-2H3/p+1/t18-/m1/s1