(3S)-N-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C21H32N5+ MolecularWeight: 354.51228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)CNC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)CN[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C21H31N5/c1-2-7-17(8-3-1)21-18(14-24-25-21)13-23-20-10-6-12-26(16-20)15-19-9-4-5-11-22-19/h4-5,9,11,14,17,20,23H,1-3,6-8,10,12-13,15-16H2,(H,24,25)/p+1/t20-/m0/s1