4-phenylmethoxy-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: 4-phenylmethoxy-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Openeye Name: 4-benzyloxy-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 4-phenylmethoxy-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium IUPAC Name: 4-phenylmethoxy-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-benzoxy-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4/c1-29-22-13-19(14-23(30-2)25(22)31-3)24-20(15-26-27-24)16-28-11-9-21(10-12-28)32-17-18-7-5-4-6-8-18/h4-8,13-15,21H,9-12,16-17H2,1-3H3,(H,26,27)/p+1