2-(3,4-dimethoxyphenyl)ethyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-homoveratryl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CN(N=C2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CN(N=C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25N3O2/c1-25-20-9-8-17(12-21(20)26-2)10-11-22-13-19-14-23-24(16-19)15-18-6-4-3-5-7-18/h3-9,12,14,16,22H,10-11,13,15H2,1-2H3/p+1