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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-homoveratryl-methyl-ammonium Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O2/c1-16-19(22(23)26(24-16)18-8-6-5-7-9-18)15-25(2)13-12-17-10-11-20(27-3)21(14-17)28-4/h5-11,14H,12-13,15H2,1-4H3/p+1