[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-[(3-methoxyphenyl)methyl]azanium

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-[(3-methoxyphenyl)methyl]azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-m-anisyl-ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O/c1-16-21(14-22-13-19-10-7-11-20(12-19)25-3)17(2)24(23-16)15-18-8-5-4-6-9-18/h4-12,22H,13-15H2,1-3H3/p+1