butyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: butyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: butyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: benzyl-butyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H29N3O2/c1-4-5-13-26(16-18-9-7-6-8-10-18)17-19-15-24-25-23(19)21-12-11-20(27-2)14-22(21)28-3/h6-12,14-15H,4-5,13,16-17H2,1-3H3,(H,24,25)/p+1