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

Systemtic Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbothioamide Openeye Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbothioamide CAS Name: 3-(1-pyrrolidin-1-iumylmethyl)benzenecarbothioamide IUPAC Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbothioamide Traditional Name: 3-(pyrrolidin-1-ium-1-ylmethyl)thiobenzamide Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C12H16N2S/c13-12(15)11-5-3-4-10(8-11)9-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H2,13,15)/p+1