2-(4-chloranyl-3-methyl-phenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]ethanone Formula: C21H32ClN2O2+ MolecularWeight: 379.94398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCCCC2CC[NH+]3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCCC[C@H]2CC[NH+]3CCCCC3)Cl

InChI

InChI=1S/C21H31ClN2O2/c1-17-15-19(8-9-20(17)22)26-16-21(25)24-13-6-3-7-18(24)10-14-23-11-4-2-5-12-23/h8-9,15,18H,2-7,10-14,16H2,1H3/p+1/t18-/m0/s1