4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-3-chloranyl-aniline

Systemtic Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-3-chloranyl-aniline Openeye Name: 3-chloro-4-[(3R)-quinuclidin-1-ium-3-yl]oxy-aniline CAS Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-3-chloroaniline IUPAC Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-3-chloroaniline Traditional Name: [3-chloro-4-[(3R)-quinuclidin-1-ium-3-yl]oxy-phenyl]amine Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)OC3=C(C=C(C=C3)N)Cl

InChI

InChI=1S/C13H17ClN2O/c14-11-7-10(15)1-2-12(11)17-13-8-16-5-3-9(13)4-6-16/h1-2,7,9,13H,3-6,8,15H2/p+1/t13-/m0/s1