[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-methoxyethyl)azanium

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-methoxyethyl)azanium Openeye Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methyl-(2-methoxyethyl)ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-(2-methoxyethyl)ammonium IUPAC Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methyl-(2-methoxyethyl)azanium Traditional Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methyl-(2-methoxyethyl)ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

COCC[NH2+]CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-26-12-11-23-14-19-16-25(15-17-7-5-4-6-8-17)24-22(19)18-9-10-20(27-2)21(13-18)28-3/h4-10,13,16,23H,11-12,14-15H2,1-3H3/p+1