[(3R)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]thiolan-3-yl]methylazanium

Systemtic Name: [(3R)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]thiolan-3-yl]methylazanium Openeye Name: [(3R)-3-(4-benzylpiperazin-4-ium-1-yl)tetrahydrothiophen-3-yl]methylammonium CAS Name: [(3R)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-thiolanyl]methylammonium IUPAC Name: [(3R)-3-(4-benzylpiperazin-4-ium-1-yl)thiolan-3-yl]methylazanium Traditional Name: [(3R)-3-(4-benzylpiperazin-4-ium-1-yl)tetrahydrothiophen-3-yl]methylammonium Formula: C16H27N3S+2 MolecularWeight: 293.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1(C[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CSC[C@@]1(C[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H25N3S/c17-13-16(6-11-20-14-16)19-9-7-18(8-10-19)12-15-4-2-1-3-5-15/h1-5H,6-14,17H2/p+2/t16-/m1/s1