3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C18H32N2S+2 MolecularWeight: 308.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]C(C)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H](C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H30N2S/c1-15-7-4-5-13-20(15)14-6-12-19-16(2)17-8-10-18(21-3)11-9-17/h8-11,15-16,19H,4-7,12-14H2,1-3H3/p+2/t15-,16-/m0/s1