4-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide

Systemtic Name: 4-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide Openeye Name: 4-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide CAS Name: 4-[1-(2-amino-2-oxoethyl)-1-piperidin-1-iumyl]-N-(2,6-dimethylphenyl)benzamide IUPAC Name: 4-[1-(2-amino-2-oxoethyl)piperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide Traditional Name: 4-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)[N+]3(CCCCC3)CC(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)[N+]3(CCCCC3)CC(=O)N

InChI

InChI=1S/C22H27N3O2/c1-16-7-6-8-17(2)21(16)24-22(27)18-9-11-19(12-10-18)25(15-20(23)26)13-4-3-5-14-25/h6-12H,3-5,13-15H2,1-2H3,(H2-,23,24,26,27)/p+1