(3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium Openeye Name: (3S)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium Traditional Name: (3S)-1-(4-benzoxy-3-methoxy-benzyl)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H31N3O2/c1-3-21-15-26-27-25(21)22-10-7-13-28(17-22)16-20-11-12-23(24(14-20)29-2)30-18-19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15,22H,3,7,10,13,16-18H2,1-2H3,(H,26,27)/p+1/t22-/m0/s1