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

Systemtic Name: (2-chloranyl-4,5-dimethoxy-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (2-chloro-4,5-dimethoxy-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (2-chloro-4,5-dimethoxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (2-chloro-4,5-dimethoxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (2-chloro-4,5-dimethoxy-benzyl)-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC(=C(C=C3Cl)OC)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)[NH2+]CC3=CC(=C(C=C3Cl)OC)OC

InChI

InChI=1S/C21H24ClN3O2/c1-14(18-13-24-25(15(18)2)17-8-6-5-7-9-17)23-12-16-10-20(26-3)21(27-4)11-19(16)22/h5-11,13-14,23H,12H2,1-4H3/p+1/t14-/m1/s1