(3-methoxy-4-phenylmethoxy-phenyl)methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[(1,3,5-trimethyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(1,3,5-trimethylpyrazol-4-yl)methyl]ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O2/c1-16-20(17(2)25(3)24-16)14-23-13-19-10-11-21(22(12-19)26-4)27-15-18-8-6-5-7-9-18/h5-12,23H,13-15H2,1-4H3/p+1