(3S)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(4-fluorophenyl)amine Formula: C16H24FN2S2+ MolecularWeight: 327.503563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)NC3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C16H23FN2S2/c17-13-3-5-14(6-4-13)18-15-2-1-7-19(10-15)16-11-20-8-9-21-12-16/h3-6,15-16,18H,1-2,7-12H2/p+1/t15-/m0/s1