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

Systemtic Name: (3S)-1-(1,4-dithiepan-6-yl)-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-(1,4-dithiepan-6-yl)-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(1,4-dithiepan-6-yl)-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(1,4-dithiepan-6-yl)-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-phenyl-amine Formula: C16H25N2S2+ MolecularWeight: 309.5131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2S2/c1-2-5-14(6-3-1)17-15-7-4-8-18(11-15)16-12-19-9-10-20-13-16/h1-3,5-6,15-17H,4,7-13H2/p+1/t15-/m0/s1