2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiobenzamide Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=S)N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=S)N

InChI

InChI=1S/C18H20N2S/c19-18(21)17-6-2-1-5-16(17)15-9-7-14(8-10-15)13-20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2,(H2,19,21)/p+1