2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(piperidin-1-yl)azaniumyl]sulfanyl-butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(piperidin-1-yl)azaniumyl]sulfanyl-butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[methyl(1-piperidyl)ammonio]sulfanyl-butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-4-[[methyl(1-piperidinyl)ammonio]thio]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(piperidin-1-yl)azaniumyl]sulfanylbutanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[[methyl(piperidino)ammonio]thio]butyrate Formula: C22H30N2O3S MolecularWeight: 402.5502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-22(21(25)26,11-14-28-23(2)24-12-5-4-6-13-24)19-9-7-18-16-20(27-3)10-8-17(18)15-19/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,26)