ethyl 4-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N3O6+ MolecularWeight: 396.458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C19H29N3O6/c1-5-28-19(24)22-8-6-21(7-9-22)13-18(23)20-12-14-10-16(26-3)17(27-4)11-15(14)25-2/h10-11H,5-9,12-13H2,1-4H3,(H,20,23)/p+1