4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-ethanoylphenyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-ethanoylphenyl)piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-acetylphenyl)-4-(2-amino-2-oxo-ethyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-acetylphenyl)-4-(2-amino-2-oxoethyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-acetylphenyl)-4-(2-amino-2-oxoethyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-acetylphenyl)-4-(2-amino-2-keto-ethyl)piperazin-4-ium-2-carboxamide Formula: C15H21N4O3+ MolecularWeight: 305.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3/c1-10(20)11-4-2-3-5-13(11)19(9-14(16)21)7-6-18-12(8-19)15(17)22/h2-5,12,18H,6-9H2,1H3,(H3-,16,17,21,22)/p+1