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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-23(12-11-17-9-10-20(25-2)21(13-17)26-3)15-18-14-22-24(16-18)19-7-5-4-6-8-19/h4-10,13-14,16H,11-12,15H2,1-3H3/p+1