[(1S)-1-(4-methylsulfanylphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SC)[NH2+]C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C17H28N2S/c1-13(2)19-11-9-16(10-12-19)18-14(3)15-5-7-17(20-4)8-6-15/h5-8,13-14,16,18H,9-12H2,1-4H3/p+2/t14-/m0/s1