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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-o-veratryl-ammonium Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CC2=C(C(=CC=C2)OC)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CC2=C(C(=CC=C2)OC)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2/c1-15-18(21(22)25(23-15)17-10-6-5-7-11-17)14-24(2)13-16-9-8-12-19(26-3)20(16)27-4/h5-12H,13-14H2,1-4H3/p+1