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

Systemtic Name: 1-methyl-4-(4-phenylsulfanylphenoxy)piperidin-1-ium Openeye Name: 1-methyl-4-(4-phenylsulfanylphenoxy)piperidin-1-ium CAS Name: 1-methyl-4-[4-(phenylthio)phenoxy]piperidin-1-ium IUPAC Name: 1-methyl-4-(4-phenylsulfanylphenoxy)piperidin-1-ium Traditional Name: 1-methyl-4-[4-(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=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

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