[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-pentan-3-yl-azanium

Systemtic Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-pentan-3-yl-azanium Openeye Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-(1-ethylpropyl)-methyl-ammonium CAS Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methyl-pentan-3-ylammonium IUPAC Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methyl-pentan-3-ylazanium Traditional Name: [2-[(5S)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-(1-ethylpropyl)-methyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+](C)CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(CC)[NH+](C)CC(=O)N1[C@@H](CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O3S/c1-6-17(7-2)25(3)15-23(27)26-19(14-18(24-26)22-9-8-12-30-22)16-10-11-20(28-4)21(13-16)29-5/h8-13,17,19H,6-7,14-15H2,1-5H3/p+1/t19-/m0/s1