1,4-dithiepan-6-yl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[[2-[(3S)-3-hydroxy-1-piperidyl]-3-pyridyl]methyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-3-yl]methyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[[2-[(3S)-3-hydroxypiperidino]-3-pyridyl]methyl]ammonium Formula: C16H26N3OS2+ MolecularWeight: 340.52714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=N2)C[NH2+]C3CSCCSC3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=N2)C[NH2+]C3CSCCSC3)O

InChI

InChI=1S/C16H25N3OS2/c20-15-4-2-6-19(10-15)16-13(3-1-5-17-16)9-18-14-11-21-7-8-22-12-14/h1,3,5,14-15,18,20H,2,4,6-12H2/p+1/t15-/m0/s1