2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbothioylamino)ethyl-dimethyl-azanium

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbothioylamino)ethyl-dimethyl-azanium Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)ethyl-dimethyl-ammonium CAS Name: 2-[[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(sulfanylidene)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)ethyl-dimethylazanium Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)ethyl-dimethyl-ammonium Formula: C14H22N3S2+ MolecularWeight: 296.47458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C14H21N3S2/c1-16(2)10-8-15-14(18)17-9-5-11-19-13-7-4-3-6-12(13)17/h3-4,6-7H,5,8-11H2,1-2H3,(H,15,18)/p+1