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

Systemtic Name: ethyl 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(veratrylamino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O5+ MolecularWeight: 366.43202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-4-26-18(23)21-9-7-20(8-10-21)13-17(22)19-12-14-5-6-15(24-2)16(11-14)25-3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,19,22)/p+1