diethyl-[(1S)-1-phenyl-2-[[(3S)-thiolan-3-yl]azaniumyl]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-thiolan-3-yl]azaniumyl]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-tetrahydrothiophen-3-yl]ammonio]ethyl]ammonium CAS Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-3-thiolanyl]ammonio]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-thiolan-3-yl]azaniumyl]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-tetrahydrothiophen-3-yl]ammonio]ethyl]ammonium Formula: C16H28N2S+2 MolecularWeight: 280.47192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH2+]C1CCSC1)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH2+][C@H]1CCSC1)C2=CC=CC=C2

InChI

InChI=1S/C16H26N2S/c1-3-18(4-2)16(14-8-6-5-7-9-14)12-17-15-10-11-19-13-15/h5-9,15-17H,3-4,10-13H2,1-2H3/p+2/t15-,16+/m0/s1