[2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C18H26ClN4O+ MolecularWeight: 349.87824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CC(=O)NC(C)(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CC(=O)NC(C)(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H25ClN4O/c1-13-15(11-22(5)12-16(24)20-18(2,3)4)17(19)23(21-13)14-9-7-6-8-10-14/h6-10H,11-12H2,1-5H3,(H,20,24)/p+1