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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethylamino)-5-oxidanylidene-pentanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethylamino)-5-oxo-pentanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethylamino)-1,5-dioxopentyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethylamino)-5-oxopentanoyl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[[5-keto-5-(piperonylamino)pentanoyl]amino]ethyl]ammonium Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CCCC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CCCC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H29N3O4/c1-3-22(4-2)11-10-20-18(23)6-5-7-19(24)21-13-15-8-9-16-17(12-15)26-14-25-16/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,20,23)(H,21,24)/p+1