2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-2-yl]sulfanyl-butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-2-yl]sulfanyl-butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[1-(methylammonio)pyrrolidin-2-yl]sulfanyl-butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[1-(methylammonio)-2-pyrrolidinyl]thio]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-2-yl]sulfanylbutanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-(methylammonio)pyrrolidin-2-yl]thio]butyrate Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCCN3[NH2+]C

Isomeric SMILES

CC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCCN3[NH2+]C

InChI

InChI=1S/C21H28N2O3S/c1-14(27-19-6-5-11-23(19)22-3)21(2,20(24)25)17-9-7-16-13-18(26-4)10-8-15(16)12-17/h7-10,12-14,19,22H,5-6,11H2,1-4H3,(H,24,25)