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

Systemtic Name: (5-chloranyl-2,3-dimethoxy-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (5-chloro-2,3-dimethoxy-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (5-chloro-2,3-dimethoxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (5-chloro-2,3-dimethoxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (5-chloro-2,3-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(=CC(=C3OC)OC)Cl

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)[NH2+]CC3=CC(=CC(=C3OC)OC)Cl

InChI

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