2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(piperidin-1-yl)azaniumyl]sulfanyl-hexanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(piperidin-1-yl)azaniumyl]sulfanyl-hexanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-6-[methyl(1-piperidyl)ammonio]sulfanyl-hexanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-6-[[methyl(1-piperidinyl)ammonio]thio]hexanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(piperidin-1-yl)azaniumyl]sulfanylhexanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-6-[[methyl(piperidino)ammonio]thio]hexanoate Formula: C24H34N2O3S MolecularWeight: 430.60336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCS[NH+](C)N1CCCCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CC(CCCCS[NH+](C)N1CCCCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C24H34N2O3S/c1-24(23(27)28,13-5-8-16-30-25(2)26-14-6-4-7-15-26)21-11-9-20-18-22(29-3)12-10-19(20)17-21/h9-12,17-18H,4-8,13-16H2,1-3H3,(H,27,28)