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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)piperidin-3-yl]sulfanyl-pentanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-(methylammonio)-3-piperidyl]sulfanyl]pentanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[1-(methylammonio)-3-piperidinyl]thio]pentanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)piperidin-3-yl]sulfanylpentanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-(methylammonio)-3-piperidyl]thio]valerate Formula: C23H32N2O3S MolecularWeight: 416.57678

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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-])SC3CCCN(C3)[NH2+]C

Isomeric SMILES

CCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCCN(C3)[NH2+]C

InChI

InChI=1S/C23H32N2O3S/c1-5-21(29-20-7-6-12-25(15-20)24-3)23(2,22(26)27)18-10-8-17-14-19(28-4)11-9-16(17)13-18/h8-11,13-14,20-21,24H,5-7,12,15H2,1-4H3,(H,26,27)