4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-diethylphenyl)piperazin-4-ium-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)[N+]2(CCNC(C2)C(=O)N)CC(=O)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)[N+]2(CCNC(C2)C(=O)N)CC(=O)N

InChI

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