[(1R)-1-(4-methylsulfanylphenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1R)-1-(4-methylsulfanylphenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1R)-1-(4-methylsulfanylphenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1R)-1-[4-(methylthio)phenyl]ethyl]-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1R)-1-(4-methylsulfanylphenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1R)-1-[4-(methylthio)phenyl]ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C17H30N2S+2 MolecularWeight: 294.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]C(C)C2=CC=C(C=C2)SC

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+][C@H](C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H28N2S/c1-4-11-19-12-9-16(10-13-19)18-14(2)15-5-7-17(20-3)8-6-15/h5-8,14,16,18H,4,9-13H2,1-3H3/p+2/t14-/m1/s1