3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(4-fluorobenzyl)propionamide Formula: C20H30FN2OS2+ MolecularWeight: 397.593403

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CC=C(C=C2)F)C3CSCCSC3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CC=C(C=C2)F)C3CSCCSC3

InChI

InChI=1S/C20H29FN2OS2/c21-18-4-1-17(2-5-18)13-22-20(24)6-3-16-7-9-23(10-8-16)19-14-25-11-12-26-15-19/h1-2,4-5,16,19H,3,6-15H2,(H,22,24)/p+1