[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-bis(2-thienylmethyl)ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-bis(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-bis(2-thenyl)ammonium Formula: C21H21N2O4S2+ MolecularWeight: 429.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](CC3=CC=CS3)CC4=CC=CS4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](CC3=CC=CS3)CC4=CC=CS4)OCO2

InChI

InChI=1S/C21H20N2O4S2/c1-14(24)17-8-19-20(27-13-26-19)9-18(17)22-21(25)12-23(10-15-4-2-6-28-15)11-16-5-3-7-29-16/h2-9H,10-13H2,1H3,(H,22,25)/p+1