[1-(phenylmethyl)pyrazol-4-yl]-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: [1-(phenylmethyl)pyrazol-4-yl]-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: [1-(phenylmethyl)-4-pyrazolyl]-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O/c32-26(23-18-27-31(20-23)19-22-8-3-1-4-9-22)30-13-7-12-25(21-30)29-16-14-28(15-17-29)24-10-5-2-6-11-24/h1-6,8-11,18,20,25H,7,12-17,19,21H2/p+1/t25-/m0/s1