4-(2-azanyl-2-oxidanylidene-ethyl)-4-(3-ethanoyl-2,6-dimethyl-phenyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(3-ethanoyl-2,6-dimethyl-phenyl)piperazin-4-ium-2-carboxamide Openeye Name: 4-(3-acetyl-2,6-dimethyl-phenyl)-4-(2-amino-2-oxo-ethyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(3-acetyl-2,6-dimethylphenyl)-4-(2-amino-2-oxoethyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(3-acetyl-2,6-dimethylphenyl)-4-(2-amino-2-oxoethyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(3-acetyl-2,6-dimethyl-phenyl)-4-(2-amino-2-keto-ethyl)piperazin-4-ium-2-carboxamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3/c1-10-4-5-13(12(3)22)11(2)16(10)21(9-15(18)23)7-6-20-14(8-21)17(19)24/h4-5,14,20H,6-9H2,1-3H3,(H3-,18,19,23,24)/p+1