(3S)-N-(1,4-dithiepan-6-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,4-dithiepan-6-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,4-dithiepan-6-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,4-dithiepan-6-yl)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,4-dithiepan-6-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,4-dithiepan-6-yl-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C17H26FN2S2+ MolecularWeight: 341.530143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NC3CSCCSC3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NC3CSCCSC3

InChI

InChI=1S/C17H25FN2S2/c18-17-6-2-1-4-14(17)10-20-7-3-5-15(11-20)19-16-12-21-8-9-22-13-16/h1-2,4,6,15-16,19H,3,5,7-13H2/p+1/t15-/m0/s1