[(2R)-2-(5-methoxy-2-oxidanyl-4-pentylsulfanyl-phenyl)-3-methyl-butyl]-methyl-azanium

Systemtic Name: [(2R)-2-(5-methoxy-2-oxidanyl-4-pentylsulfanyl-phenyl)-3-methyl-butyl]-methyl-azanium Openeye Name: [(2R)-2-(2-hydroxy-5-methoxy-4-pentylsulfanyl-phenyl)-3-methyl-butyl]-methyl-ammonium CAS Name: [(2R)-2-[2-hydroxy-5-methoxy-4-(pentylthio)phenyl]-3-methylbutyl]-methylammonium IUPAC Name: [(2R)-2-(2-hydroxy-5-methoxy-4-pentylsulfanylphenyl)-3-methylbutyl]-methylazanium Traditional Name: [(2R)-2-[4-(amylthio)-2-hydroxy-5-methoxy-phenyl]-3-methyl-butyl]-methyl-ammonium Formula: C18H32NO2S+ MolecularWeight: 326.51718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)O)C(C[NH2+]C)C(C)C)OC

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)O)[C@H](C[NH2+]C)C(C)C)OC

InChI

InChI=1S/C18H31NO2S/c1-6-7-8-9-22-18-11-16(20)14(10-17(18)21-5)15(12-19-4)13(2)3/h10-11,13,15,19-20H,6-9,12H2,1-5H3/p+1/t15-/m1/s1