1-methyl-4-phenyl-1-phenylsulfanyl-piperidin-1-ium-3-ol

Systemtic Name: 1-methyl-4-phenyl-1-phenylsulfanyl-piperidin-1-ium-3-ol Openeye Name: 1-methyl-4-phenyl-1-phenylsulfanyl-piperidin-1-ium-3-ol CAS Name: 1-methyl-4-phenyl-1-(phenylthio)-3-piperidin-1-iumol IUPAC Name: 1-methyl-4-phenyl-1-phenylsulfanylpiperidin-1-ium-3-ol Traditional Name: 1-methyl-4-phenyl-1-(phenylthio)piperidin-1-ium-3-ol Formula: C18H22NOS+ MolecularWeight: 300.43838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C(C1)O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCC(C(C1)O)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H22NOS/c1-19(21-16-10-6-3-7-11-16)13-12-17(18(20)14-19)15-8-4-2-5-9-15/h2-11,17-18,20H,12-14H2,1H3/q+1