4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-dimethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-dimethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(2,6-dimethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dimethylphenyl)-N-methyl-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dimethylphenyl)-N-methylpiperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(2,6-dimethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2/c1-11-5-4-6-12(2)15(11)20(10-14(17)21)8-7-19-13(9-20)16(22)18-3/h4-6,13,19H,7-10H2,1-3H3,(H2-,17,18,21,22)/p+1