butyl-(4-methylphenyl)-oxidanyl-(2-pentylsulfanylethyl)azanium

Systemtic Name: butyl-(4-methylphenyl)-oxidanyl-(2-pentylsulfanylethyl)azanium Openeye Name: butyl-hydroxy-(2-pentylsulfanylethyl)-(p-tolyl)ammonium CAS Name: butyl-hydroxy-(4-methylphenyl)-[2-(pentylthio)ethyl]ammonium IUPAC Name: butyl-hydroxy-(4-methylphenyl)-(2-pentylsulfanylethyl)azanium Traditional Name: 2-(amylthio)ethyl-butyl-hydroxy-(p-tolyl)ammonium Formula: C18H32NOS+ MolecularWeight: 310.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC[N+](CCCC)(C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCSCC[N+](CCCC)(C1=CC=C(C=C1)C)O

InChI

InChI=1S/C18H32NOS/c1-4-6-8-15-21-16-14-19(20,13-7-5-2)18-11-9-17(3)10-12-18/h9-12,20H,4-8,13-16H2,1-3H3/q+1