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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(3-ethanoyl-2,6-dimethyl-phenyl)-N-methyl-piperazin-4-ium-2-carboxamide Openeye Name: 4-(3-acetyl-2,6-dimethyl-phenyl)-4-(2-amino-2-oxo-ethyl)-N-methyl-piperazin-4-ium-2-carboxamide CAS Name: 4-(3-acetyl-2,6-dimethylphenyl)-4-(2-amino-2-oxoethyl)-N-methyl-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(3-acetyl-2,6-dimethylphenyl)-4-(2-amino-2-oxoethyl)-N-methylpiperazin-4-ium-2-carboxamide Traditional Name: 4-(3-acetyl-2,6-dimethyl-phenyl)-4-(2-amino-2-keto-ethyl)-N-methyl-piperazin-4-ium-2-carboxamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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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)NC)CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3/c1-11-5-6-14(13(3)23)12(2)17(11)22(10-16(19)24)8-7-21-15(9-22)18(25)20-4/h5-6,15,21H,7-10H2,1-4H3,(H2-,19,20,24,25)/p+1