4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-chloranyl-6-methyl-phenyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-chloranyl-6-methyl-phenyl)piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(2-chloro-6-methyl-phenyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-4-(2-chloro-6-methylphenyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(2-chloro-6-methylphenyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(2-chloro-6-methyl-phenyl)piperazin-4-ium-2-carboxamide Formula: C14H20ClN4O2+ MolecularWeight: 311.7872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O2/c1-9-3-2-4-10(15)13(9)19(8-12(16)20)6-5-18-11(7-19)14(17)21/h2-4,11,18H,5-8H2,1H3,(H3-,16,17,20,21)/p+1