[(2S)-1-ethylpyrrolidin-2-yl]methyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2S)-1-ethyl-2-pyrrolidinyl]methyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C16H27N2S+ MolecularWeight: 279.46398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1C[NH2+]C(C)C2=CC=C(C=C2)SC

Isomeric SMILES

CCN1CCC[C@H]1C[NH2+][C@@H](C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H26N2S/c1-4-18-11-5-6-15(18)12-17-13(2)14-7-9-16(19-3)10-8-14/h7-10,13,15,17H,4-6,11-12H2,1-3H3/p+1/t13-,15-/m0/s1