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

Systemtic Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-methylbut-2-enyl)piperidin-1-ium Openeye Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-methylbut-2-enyl)piperidin-1-ium CAS Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-methylbut-2-enyl)piperidin-1-ium IUPAC Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-methylbut-2-enyl)piperidin-1-ium Traditional Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-methylbut-2-enyl)piperidin-1-ium Formula: C19H25ClN3+ MolecularWeight: 330.8749

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCCC(C1)C2=C(C=NN2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(=CC[NH+]1CCC[C@@H](C1)C2=C(C=NN2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H24ClN3/c1-14(2)9-11-23-10-3-4-16(13-23)19-18(12-21-22-19)15-5-7-17(20)8-6-15/h5-9,12,16H,3-4,10-11,13H2,1-2H3,(H,21,22)/p+1/t16-/m0/s1