ethyl 4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H34N3O5+ MolecularWeight: 408.51176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)C(=O)OCC)OCC

InChI

InChI=1S/C21H33N3O5/c1-4-27-18-8-7-17(15-19(18)28-5-2)9-10-22-20(25)16-23-11-13-24(14-12-23)21(26)29-6-3/h7-8,15H,4-6,9-14,16H2,1-3H3,(H,22,25)/p+1