2-hydroxyethyl-[2-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-hydroxyethyl-[2-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-hydroxyethyl-[2-oxo-2-[(3R)-5-(p-tolyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]ammonium CAS Name: 2-hydroxyethyl-[2-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]ammonium IUPAC Name: 2-hydroxyethyl-[2-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]azanium Traditional Name: 2-hydroxyethyl-[2-keto-2-[(5R)-3-(p-tolyl)-5-(2-thienyl)-2-pyrazolin-1-yl]ethyl]ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)C[NH2+]CCO

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CS3)C(=O)C[NH2+]CCO

InChI

InChI=1S/C18H21N3O2S/c1-13-4-6-14(7-5-13)15-11-16(17-3-2-10-24-17)21(20-15)18(23)12-19-8-9-22/h2-7,10,16,19,22H,8-9,11-12H2,1H3/p+1/t16-/m1/s1