2-(azepan-1-ium-1-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H26N4O/c1-15-19(16(2)23(21-15)17-10-6-5-7-11-17)20-18(24)14-22-12-8-3-4-9-13-22/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,20,24)/p+1