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

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O5/c1-2-22-16(21)19-7-5-18(6-8-19)10-15(20)17-12-3-4-13-14(9-12)24-11-23-13/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,20)/p+1