2-[cycloheptylcarbamothioyl(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[cycloheptylcarbamothioyl(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[cycloheptylcarbamothioyl(2-thienylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cycloheptylamino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[cycloheptylcarbamothioyl(thiophen-2-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[cycloheptylthiocarbamoyl(2-thenyl)amino]ethyl-dimethyl-ammonium Formula: C17H30N3S2+ MolecularWeight: 340.5702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CS1)C(=S)NC2CCCCCC2

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CS1)C(=S)NC2CCCCCC2

InChI

InChI=1S/C17H29N3S2/c1-19(2)11-12-20(14-16-10-7-13-22-16)17(21)18-15-8-5-3-4-6-9-15/h7,10,13,15H,3-6,8-9,11-12,14H2,1-2H3,(H,18,21)/p+1