3-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]propylazanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]propylazanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]propylammonium CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]propylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]propylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]propylammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC[NH3+])CC3=CC=CS3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC[NH3+])CC3=CC=CS3

InChI

InChI=1S/C16H20N2O2S/c17-6-2-7-18(12-14-3-1-10-21-14)13-4-5-15-16(11-13)20-9-8-19-15/h1,3-5,10-11H,2,6-9,12,17H2/p+1