1-phenyl-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-phenyl-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-phenyl-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-phenyl-4-[(3S)-1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-phenyl-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-phenyl-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C25H32N5+ MolecularWeight: 402.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5/c1-3-8-23(9-4-1)28-14-16-29(17-15-28)25-12-7-13-27(21-25)19-22-18-26-30(20-22)24-10-5-2-6-11-24/h1-6,8-11,18,20,25H,7,12-17,19,21H2/p+1/t25-/m0/s1