3-butoxypropyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 3-butoxypropyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=C(NN=C1)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCOCCC[NH2+]CC1=C(NN=C1)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H29N3O/c1-4-5-10-23-11-6-9-20-13-18-14-21-22-19(18)17-8-7-15(2)16(3)12-17/h7-8,12,14,20H,4-6,9-11,13H2,1-3H3,(H,21,22)/p+1