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

Systemtic Name: 1-(2-azanyl-2-oxidanylidene-ethyl)-1-(2,6-dimethylphenyl)piperazin-1-ium-2-carboxamide Openeye Name: 1-(2-amino-2-oxo-ethyl)-1-(2,6-dimethylphenyl)piperazin-1-ium-2-carboxamide CAS Name: 1-(2-amino-2-oxoethyl)-1-(2,6-dimethylphenyl)-2-piperazin-1-iumcarboxamide IUPAC Name: 1-(2-amino-2-oxoethyl)-1-(2,6-dimethylphenyl)piperazin-1-ium-2-carboxamide Traditional Name: 1-(2-amino-2-keto-ethyl)-1-(2,6-dimethylphenyl)piperazin-1-ium-2-carboxamide Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2/c1-10-4-3-5-11(2)14(10)19(9-13(16)20)7-6-18-8-12(19)15(17)21/h3-5,12,18H,6-9H2,1-2H3,(H3-,16,17,20,21)/p+1