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

Systemtic Name: ethyl 4-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-4-keto-butyric acid ethyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C20H29N3O4/c1-4-27-19(26)9-8-18(25)23-12-10-22(11-13-23)14-17(24)21-20-15(2)6-5-7-16(20)3/h5-7H,4,8-14H2,1-3H3,(H,21,24)/p+1