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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-3-yl]sulfanyl-pentanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[1-(methylammonio)pyrrolidin-3-yl]sulfanyl-pentanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[1-(methylammonio)-3-pyrrolidinyl]thio]pentanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-3-yl]sulfanylpentanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-(methylammonio)pyrrolidin-3-yl]thio]valerate Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCN(C3)[NH2+]C

Isomeric SMILES

CCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCN(C3)[NH2+]C

InChI

InChI=1S/C22H30N2O3S/c1-5-20(28-19-10-11-24(14-19)23-3)22(2,21(25)26)17-8-6-16-13-18(27-4)9-7-15(16)12-17/h6-9,12-13,19-20,23H,5,10-11,14H2,1-4H3,(H,25,26)