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

Systemtic Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclohexylmethyl)piperidin-1-ium Openeye Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclohexylmethyl)piperidin-1-ium CAS Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclohexylmethyl)piperidin-1-ium IUPAC Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclohexylmethyl)piperidin-1-ium Traditional Name: 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclohexylmethyl)piperidin-1-ium Formula: C21H29ClN3+ MolecularWeight: 358.92806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCC(CC2)C3=CC(=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC(CC2)C3=CC(=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H28ClN3/c22-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-25(13-11-18)15-16-4-2-1-3-5-16/h6-9,14,16,18H,1-5,10-13,15H2,(H,23,24)/p+1