(3R,4R)-1-(1,4-dithiepan-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(1,4-dithiepan-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(1,4-dithiepan-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(1,4-dithiepan-6-yl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(1,4-dithiepan-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(1,4-dithiepan-6-yl)-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C19H32N4OS2+2 MolecularWeight: 396.61358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)C4CSCCSC4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)C4CSCCSC4

InChI

InChI=1S/C19H30N4OS2/c24-18-13-23(16-14-25-11-12-26-15-16)6-4-17(18)21-7-9-22(10-8-21)19-3-1-2-5-20-19/h1-3,5,16-18,24H,4,6-15H2/p+2/t17-,18-/m1/s1