2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-amino-2-oxo-ethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-(2-amino-2-oxoethyl)-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-amino-2-oxoethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-amino-2-keto-ethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N)C

InChI

InChI=1S/C16H24N4O2/c1-12-4-3-5-14(13(12)2)18-16(22)11-20-8-6-19(7-9-20)10-15(17)21/h3-5H,6-11H2,1-2H3,(H2,17,21)(H,18,22)/p+1