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

Systemtic Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclopropylmethyl)piperidin-1-ium Openeye Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclopropylmethyl)piperidin-1-ium CAS Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclopropylmethyl)piperidin-1-ium IUPAC Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclopropylmethyl)piperidin-1-ium Traditional Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclopropylmethyl)piperidin-1-ium Formula: C18H23ClN3+ MolecularWeight: 316.84832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2CC2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2CC2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H22ClN3/c19-16-7-5-14(6-8-16)17-10-20-21-18(17)15-2-1-9-22(12-15)11-13-3-4-13/h5-8,10,13,15H,1-4,9,11-12H2,(H,20,21)/p+1/t15-/m0/s1