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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)benzenecarbothioamide Openeye Name: 3-(azepan-1-ium-1-ylmethyl)benzenecarbothioamide CAS Name: 3-(1-azepan-1-iumylmethyl)benzenecarbothioamide IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)benzenecarbothioamide Traditional Name: 3-(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(=C2)C(=S)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C14H20N2S/c15-14(17)13-7-5-6-12(10-13)11-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11H2,(H2,15,17)/p+1