2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(morpholin-4-yl)azaniumyl]sulfanyl-hexanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(morpholin-4-yl)azaniumyl]sulfanyl-hexanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-6-[methyl(morpholino)ammonio]sulfanyl-hexanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-6-[[methyl(4-morpholinyl)ammonio]thio]hexanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(morpholin-4-yl)azaniumyl]sulfanylhexanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-6-[[methyl(morpholino)ammonio]thio]hexanoate Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCS[NH+](C)N1CCOCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CC(CCCCS[NH+](C)N1CCOCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C23H32N2O4S/c1-23(22(26)27,10-4-5-15-30-24(2)25-11-13-29-14-12-25)20-8-6-19-17-21(28-3)9-7-18(19)16-20/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,26,27)