2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-1,2-dioxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-acetyl]amino]ethyl-diethyl-ammonium Formula: C15H22N3O4+ MolecularWeight: 308.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H21N3O4/c1-3-18(4-2)8-7-16-14(19)15(20)17-11-5-6-12-13(9-11)22-10-21-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,19)(H,17,20)/p+1