5-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate

Systemtic Name: 5-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate Openeye Name: 5-[diethyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-pentanoate CAS Name: 5-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylpentanoate IUPAC Name: 5-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylpentanoate Traditional Name: 5-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-valerate Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)SCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)SCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C22H31NO3S/c1-6-23(4,7-2)27-14-8-13-22(3,21(24)25)19-11-9-18-16-20(26-5)12-10-17(18)15-19/h9-12,15-16H,6-8,13-14H2,1-5H3