(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-(3-fluorophenyl)piperidine-1-carbothioamide

Systemtic Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-(3-fluorophenyl)piperidine-1-carbothioamide Openeye Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-(3-fluorophenyl)piperidine-1-carbothioamide CAS Name: (2S)-2-[2-(1-azepan-1-iumyl)ethyl]-N-(3-fluorophenyl)-1-piperidinecarbothioamide IUPAC Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-(3-fluorophenyl)piperidine-1-carbothioamide Traditional Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-(3-fluorophenyl)piperidine-1-carbothioamide Formula: C20H31FN3S+ MolecularWeight: 364.543643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2CCCCN2C(=S)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC[NH+](CC1)CC[C@@H]2CCCCN2C(=S)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H30FN3S/c21-17-8-7-9-18(16-17)22-20(25)24-14-6-3-10-19(24)11-15-23-12-4-1-2-5-13-23/h7-9,16,19H,1-6,10-15H2,(H,22,25)/p+1/t19-/m0/s1