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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CSC=C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CSC=C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3S/c20-17-5-3-15(4-6-17)18-10-21-22-19(18)16-2-1-8-23(12-16)11-14-7-9-24-13-14/h3-7,9-10,13,16H,1-2,8,11-12H2,(H,21,22)/p+1/t16-/m0/s1