ethyl 4-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[(3,4,5-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(=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C(=C2)OC)OC)OC

InChI

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