[1-ethoxy-2-oxidanyl-3-[4-(5-phenylpentylsulfanyl)phenoxy]propylidene]azanium chloride

Systemtic Name: [1-ethoxy-2-oxidanyl-3-[4-(5-phenylpentylsulfanyl)phenoxy]propylidene]azanium chloride Openeye Name: [1-ethoxy-2-hydroxy-3-[4-(5-phenylpentylsulfanyl)phenoxy]propylidene]ammonium chloride CAS Name: [1-ethoxy-2-hydroxy-3-[4-(5-phenylpentylthio)phenoxy]propylidene]ammonium chloride IUPAC Name: [1-ethoxy-2-hydroxy-3-[4-(5-phenylpentylsulfanyl)phenoxy]propylidene]azanium chloride Traditional Name: [1-ethoxy-2-hydroxy-3-[4-(5-phenylpentylthio)phenoxy]propylidene]ammonium chloride Formula: C22H30ClNO3S MolecularWeight: 423.9965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=[NH2+])C(COC1=CC=C(C=C1)SCCCCCC2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCOC(=[NH2+])C(COC1=CC=C(C=C1)SCCCCCC2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C22H29NO3S.ClH/c1-2-25-22(23)21(24)17-26-19-12-14-20(15-13-19)27-16-8-4-7-11-18-9-5-3-6-10-18;/h3,5-6,9-10,12-15,21,23-24H,2,4,7-8,11,16-17H2,1H3;1H