N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propionamide Formula: C19H27ClFN2OS2+ MolecularWeight: 418.011883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)C3CSCCSC3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)C3CSCCSC3

InChI

InChI=1S/C19H26ClFN2OS2/c20-17-11-15(2-3-18(17)21)22-19(24)4-1-14-5-7-23(8-6-14)16-12-25-9-10-26-13-16/h2-3,11,14,16H,1,4-10,12-13H2,(H,22,24)/p+1