1-(2-azanyl-2-oxidanylidene-ethyl)-1-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-1-ium-2-carboxamide

Systemtic Name: 1-(2-azanyl-2-oxidanylidene-ethyl)-1-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-1-ium-2-carboxamide Openeye Name: 1-(2-amino-2-oxo-ethyl)-1-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-1-ium-2-carboxamide CAS Name: 1-(2-amino-2-oxoethyl)-1-(2,6-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-iumcarboxamide IUPAC Name: 1-(2-amino-2-oxoethyl)-1-(2,6-dimethylphenyl)-N,N-dimethylpiperazin-1-ium-2-carboxamide Traditional Name: 1-(2-amino-2-keto-ethyl)-1-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-1-ium-2-carboxamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CCNCC2C(=O)N(C)C)CC(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CCNCC2C(=O)N(C)C)CC(=O)N

InChI

InChI=1S/C17H26N4O2/c1-12-6-5-7-13(2)16(12)21(11-15(18)22)9-8-19-10-14(21)17(23)20(3)4/h5-7,14,19H,8-11H2,1-4H3,(H-,18,22)/p+1