(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[[(1R)-1-cyclohex-3-enyl]methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2CCC=CC2)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C[C@@H]2CCC=CC2)C3=C(C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3/c1-3-8-17(9-4-1)15-24-13-7-12-19(16-24)21-20(14-22-23-21)18-10-5-2-6-11-18/h1-3,5-6,10-11,14,17,19H,4,7-9,12-13,15-16H2,(H,22,23)/p+1/t17-,19-/m0/s1