1-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S/c1-25-16-8-6-15(7-9-16)18-13-17(19-5-4-12-26-19)21-23(18)20(24)14-22-10-2-3-11-22/h4-9,12,18H,2-3,10-11,13-14H2,1H3/p+1/t18-/m0/s1