[(3S)-3-(4-propylpiperazin-4-ium-1-yl)thiolan-3-yl]methylazanium

Systemtic Name: [(3S)-3-(4-propylpiperazin-4-ium-1-yl)thiolan-3-yl]methylazanium Openeye Name: [(3S)-3-(4-propylpiperazin-4-ium-1-yl)tetrahydrothiophen-3-yl]methylammonium CAS Name: [(3S)-3-(4-propyl-1-piperazin-4-iumyl)-3-thiolanyl]methylammonium IUPAC Name: [(3S)-3-(4-propylpiperazin-4-ium-1-yl)thiolan-3-yl]methylazanium Traditional Name: [(3S)-3-(4-propylpiperazin-4-ium-1-yl)tetrahydrothiophen-3-yl]methylammonium Formula: C12H27N3S+2 MolecularWeight: 245.42788

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2(CCSC2)C[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@@]2(CCSC2)C[NH3+]

InChI

InChI=1S/C12H25N3S/c1-2-4-14-5-7-15(8-6-14)12(10-13)3-9-16-11-12/h2-11,13H2,1H3/p+2/t12-/m0/s1