3-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)propyl-diethyl-azanium

Systemtic Name: 3-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)propyl-diethyl-azanium Openeye Name: 3-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)propyl-diethyl-ammonium CAS Name: 3-[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]amino]propyl-diethylammonium IUPAC Name: 3-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)propyl-diethylazanium Traditional Name: 3-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)propyl-diethyl-ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

InChI

InChI=1S/C20H26N2OS/c1-3-22(4-2)13-7-12-21-20(23)18-14-16-11-10-15-8-5-6-9-17(15)19(16)24-18/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3,(H,21,23)/p+1