N1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-chloranyl-benzene-1,4-diamine

Systemtic Name: N1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-chloranyl-benzene-1,4-diamine Openeye Name: 2-chloro-N1-[(3R)-quinuclidin-1-ium-3-yl]benzene-1,4-diamine CAS Name: N1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-chlorobenzene-1,4-diamine IUPAC Name: 1-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-chlorobenzene-1,4-diamine Traditional Name: (4-amino-2-chloro-phenyl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C13H19ClN3+ MolecularWeight: 252.76306

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=C(C=C(C=C3)N)Cl

InChI

InChI=1S/C13H18ClN3/c14-11-7-10(15)1-2-12(11)16-13-8-17-5-3-9(13)4-6-17/h1-2,7,9,13,16H,3-6,8,15H2/p+1/t13-/m0/s1