[5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-oxidanylpiperidin-1-yl]methanone

Systemtic Name: [5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-oxidanylpiperidin-1-yl]methanone Openeye Name: [5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-hydroxy-1-piperidyl]methanone CAS Name: [5-chloro-2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]phenyl]-[(3S)-3-hydroxy-1-piperidinyl]methanone IUPAC Name: [5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone Traditional Name: [5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]-[(3S)-3-hydroxypiperidino]methanone Formula: C22H32ClN2O3+ MolecularWeight: 407.95408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)Cl)C(=O)N4CCCC(C4)O

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)Cl)C(=O)N4CCC[C@@H](C4)O

InChI

InChI=1S/C22H31ClN2O3/c23-16-7-8-21(20(14-16)22(27)25-11-3-6-18(26)15-25)28-19-9-12-24(13-10-19)17-4-1-2-5-17/h7-8,14,17-19,26H,1-6,9-13,15H2/p+1/t18-/m0/s1