2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-(methylazaniumyl)morpholin-3-yl]sulfanyl-heptanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-(methylazaniumyl)morpholin-3-yl]sulfanyl-heptanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[4-(methylammonio)morpholin-3-yl]sulfanyl-heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[4-(methylammonio)-3-morpholinyl]thio]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-(methylazaniumyl)morpholin-3-yl]sulfanylheptanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[4-(methylammonio)morpholin-3-yl]thio]enanthate Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3COCCN3[NH2+]C

Isomeric SMILES

CCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3COCCN3[NH2+]C

InChI

InChI=1S/C24H34N2O4S/c1-5-6-7-21(31-22-16-30-13-12-26(22)25-3)24(2,23(27)28)19-10-8-18-15-20(29-4)11-9-17(18)14-19/h8-11,14-15,21-22,25H,5-7,12-13,16H2,1-4H3,(H,27,28)