[(3R)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thiolan-3-yl]methylazanium

Systemtic Name: [(3R)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thiolan-3-yl]methylazanium Openeye Name: [(3R)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)tetrahydrothiophen-3-yl]methylammonium CAS Name: [(3R)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-thiolanyl]methylammonium IUPAC Name: [(3R)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thiolan-3-yl]methylazanium Traditional Name: [(3R)-3-(4-pyridin-1-ium-2-ylpiperazino)tetrahydrothiophen-3-yl]methylammonium Formula: C14H24N4S+2 MolecularWeight: 280.43216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CSC[C@@]1(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H22N4S/c15-11-14(4-10-19-12-14)18-8-6-17(7-9-18)13-3-1-2-5-16-13/h1-3,5H,4,6-12,15H2/p+2/t14-/m1/s1