3-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[5-(1,3-benzodioxol-5-yl)isoxazole-3-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[5-(1,3-benzodioxol-5-yl)isoxazole-3-carbonyl]amino]propyl-diethyl-ammonium Formula: C18H24N3O4+ MolecularWeight: 346.40086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=NOC(=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H23N3O4/c1-3-21(4-2)9-5-8-19-18(22)14-11-16(25-20-14)13-6-7-15-17(10-13)24-12-23-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,22)/p+1