[(3S)-3-(azaniumylmethyl)thiolan-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-3-(azaniumylmethyl)thiolan-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(3S)-3-(azaniumylmethyl)tetrahydrothiophen-3-yl]-benzyl-methyl-ammonium CAS Name: [(3S)-3-(ammoniomethyl)-3-thiolanyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(3S)-3-(azaniumylmethyl)thiolan-3-yl]-benzyl-methylazanium Traditional Name: [(3S)-3-(ammoniomethyl)tetrahydrothiophen-3-yl]-benzyl-methyl-ammonium Formula: C13H22N2S+2 MolecularWeight: 238.39218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(CCSC2)C[NH3+]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@@]2(CCSC2)C[NH3+]

InChI

InChI=1S/C13H20N2S/c1-15(9-12-5-3-2-4-6-12)13(10-14)7-8-16-11-13/h2-6H,7-11,14H2,1H3/p+2/t13-/m0/s1