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

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)benzenecarbothioamide Openeye Name: 3-(azocan-1-ium-1-ylmethyl)benzenecarbothioamide CAS Name: 3-(1-azocan-1-iumylmethyl)benzenecarbothioamide IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)benzenecarbothioamide Traditional Name: 3-(azocan-1-ium-1-ylmethyl)thiobenzamide Formula: C15H23N2S+ MolecularWeight: 263.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C15H22N2S/c16-15(18)14-8-6-7-13(11-14)12-17-9-4-2-1-3-5-10-17/h6-8,11H,1-5,9-10,12H2,(H2,16,18)/p+1