(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium

Systemtic Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium Openeye Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-thienylmethyl)piperidin-1-ium CAS Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium IUPAC Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium Traditional Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-thenyl)piperidin-1-ium Formula: C19H21ClN3S+ MolecularWeight: 358.90814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CS2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CS2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3S/c20-16-7-5-14(6-8-16)18-11-21-22-19(18)15-3-1-9-23(12-15)13-17-4-2-10-24-17/h2,4-8,10-11,15H,1,3,9,12-13H2,(H,21,22)/p+1/t15-/m0/s1