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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)ethyl-dimethyl-azanium Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)ethyl-dimethyl-ammonium CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)ethyl-dimethylazanium Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)ethyl-dimethyl-ammonium Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCC2=CC=CC=C2C1

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H21N3S/c1-16(2)10-8-15-14(18)17-9-7-12-5-3-4-6-13(12)11-17/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1