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

Systemtic Name: (3S)-1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[(4-benzyloxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(4-benzoxybenzyl)-3-(1H-pyrazol-5-yl)piperidin-1-ium Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=NN4

InChI

InChI=1S/C22H25N3O/c1-2-5-19(6-3-1)17-26-21-10-8-18(9-11-21)15-25-14-4-7-20(16-25)22-12-13-23-24-22/h1-3,5-6,8-13,20H,4,7,14-17H2,(H,23,24)/p+1/t20-/m0/s1