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

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (3-ethoxy-4-hydroxy-phenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (3-ethoxy-4-hydroxy-benzyl)-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C(C)C2=C(N(N=C2)C3=CC=CC=C3)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+][C@H](C)C2=C(N(N=C2)C3=CC=CC=C3)C)O

InChI

InChI=1S/C21H25N3O2/c1-4-26-21-12-17(10-11-20(21)25)13-22-15(2)19-14-23-24(16(19)3)18-8-6-5-7-9-18/h5-12,14-15,22,25H,4,13H2,1-3H3/p+1/t15-/m1/s1