4-[2-[ethyl(methyl)azaniumyl]ethylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate

Systemtic Name: 4-[2-[ethyl(methyl)azaniumyl]ethylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate Openeye Name: 4-[2-[ethyl(methyl)ammonio]ethylsulfanyl]-2-(6-methoxy-2-naphthyl)-2-methyl-butanoate CAS Name: 4-[2-[ethyl(methyl)ammonio]ethylthio]-2-(6-methoxy-2-naphthalenyl)-2-methylbutanoate IUPAC Name: 4-[2-[ethyl(methyl)azaniumyl]ethylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methylbutanoate Traditional Name: 4-[2-[ethyl(methyl)ammonio]ethylthio]-2-(6-methoxy-2-naphthyl)-2-methyl-butyrate Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C)CCSCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CC[NH+](C)CCSCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C21H29NO3S/c1-5-22(3)11-13-26-12-10-21(2,20(23)24)18-8-6-17-15-19(25-4)9-7-16(17)14-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,24)