4-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-4-(2,4,6-trimethylphenyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-4-(2,4,6-trimethylphenyl)piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-N-methyl-4-(2,4,6-trimethylphenyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-N-methyl-4-(2,4,6-trimethylphenyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-N-methyl-4-(2,4,6-trimethylphenyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-4-mesityl-N-methyl-piperazin-4-ium-2-carboxamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[N+]2(CCNC(C2)C(=O)NC)CC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[N+]2(CCNC(C2)C(=O)NC)CC(=O)N)C

InChI

InChI=1S/C17H26N4O2/c1-11-7-12(2)16(13(3)8-11)21(10-15(18)22)6-5-20-14(9-21)17(23)19-4/h7-8,14,20H,5-6,9-10H2,1-4H3,(H2-,18,19,22,23)/p+1