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

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (4-hydroxy-3,5-dimethoxy-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (4-hydroxy-3,5-dimethoxy-benzyl)-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)[NH2+]CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C21H25N3O3/c1-14(18-13-23-24(15(18)2)17-8-6-5-7-9-17)22-12-16-10-19(26-3)21(25)20(11-16)27-4/h5-11,13-14,22,25H,12H2,1-4H3/p+1/t14-/m1/s1