2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1-ethyl-piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1-ethyl-piperazin-1-ium-1-yl]acetate Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)CC(=O)NC2=C(C=CC=C2C)C)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCN(CC1)CC(=O)NC2=C(C=CC=C2C)C)CC(=O)[O-]

InChI

InChI=1S/C18H27N3O3/c1-4-21(13-17(23)24)10-8-20(9-11-21)12-16(22)19-18-14(2)6-5-7-15(18)3/h5-7H,4,8-13H2,1-3H3,(H-,19,22,23,24)