2-(azepan-1-ium-1-ylmethyl)benzenecarbothioamide

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)benzenecarbothioamide Openeye Name: 2-(azepan-1-ium-1-ylmethyl)benzenecarbothioamide CAS Name: 2-(1-azepan-1-iumylmethyl)benzenecarbothioamide IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)benzenecarbothioamide Traditional Name: 2-(azepan-1-ium-1-ylmethyl)thiobenzamide Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H20N2S/c15-14(17)13-8-4-3-7-12(13)11-16-9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-11H2,(H2,15,17)/p+1