1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine

Systemtic Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C25H38N5+ MolecularWeight: 408.60272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H37N5/c1-3-8-21(9-4-1)25-22(18-26-27-25)19-28-13-7-12-24(20-28)30-16-14-29(15-17-30)23-10-5-2-6-11-23/h2,5-6,10-11,18,21,24H,1,3-4,7-9,12-17,19-20H2,(H,26,27)/p+1/t24-/m0/s1