[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl-phenethyl-azanium

Systemtic Name: [5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl-phenethyl-azanium Openeye Name: (5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl-phenethyl-ammonium CAS Name: [5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]methyl-phenethylammonium IUPAC Name: [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl-phenethylazanium Traditional Name: (5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl-phenethyl-ammonium Formula: C17H25ClN3+ MolecularWeight: 306.8535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CCC2=CC=CC=C2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]CCC2=CC=CC=C2)Cl)CC(C)C

InChI

InChI=1S/C17H24ClN3/c1-13(2)12-21-17(18)16(14(3)20-21)11-19-10-9-15-7-5-4-6-8-15/h4-8,13,19H,9-12H2,1-3H3/p+1