1-methyl-4-(2-phenylsulfanylphenoxy)piperidin-1-ium

Systemtic Name: 1-methyl-4-(2-phenylsulfanylphenoxy)piperidin-1-ium Openeye Name: 1-methyl-4-(2-phenylsulfanylphenoxy)piperidin-1-ium CAS Name: 1-methyl-4-[2-(phenylthio)phenoxy]piperidin-1-ium IUPAC Name: 1-methyl-4-(2-phenylsulfanylphenoxy)piperidin-1-ium Traditional Name: 1-methyl-4-[2-(phenylthio)phenoxy]piperidin-1-ium Formula: C18H22NOS+ MolecularWeight: 300.43838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H21NOS/c1-19-13-11-15(12-14-19)20-17-9-5-6-10-18(17)21-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/p+1