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

Systemtic Name: 3-butoxypropyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 3-butoxypropyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-3-4-11-22-12-5-10-19-13-17-14-20-21-18(17)16-8-6-15(2)7-9-16/h6-9,14,19H,3-5,10-13H2,1-2H3,(H,20,21)/p+1