[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)N3CCCCCCC3

InChI

InChI=1S/C22H32N4O/c1-18-21(19(2)26(23-18)20-12-8-7-9-13-20)16-24(3)17-22(27)25-14-10-5-4-6-11-15-25/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3/p+1