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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-2-23-17(22)20-9-7-19(8-10-20)6-5-16(21)18-13-3-4-14-15(11-13)25-12-24-14/h3-4,11H,2,5-10,12H2,1H3,(H,18,21)/p+1