2-[2-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-piperazin-1-ium-1-yl]acetate CAS Name: 2-[2-[(2,6-dimethylanilino)-oxomethyl]-1-methyl-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[2-[(2,6-dimethylphenyl)carbamoyl]-1-methylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[2-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-piperazin-1-ium-1-yl]acetate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2CNCC[N+]2(C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2CNCC[N+]2(C)CC(=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-11-5-4-6-12(2)15(11)18-16(22)13-9-17-7-8-19(13,3)10-14(20)21/h4-6,13,17H,7-10H2,1-3H3,(H-,18,20,21,22)