N2-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chloranyl-benzene-1,2-diamine

Systemtic Name: N2-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chloranyl-benzene-1,2-diamine Openeye Name: 3-chloro-N2-[(3R)-quinuclidin-1-ium-3-yl]benzene-1,2-diamine CAS Name: N2-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chlorobenzene-1,2-diamine IUPAC Name: 2-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chlorobenzene-1,2-diamine Traditional Name: (2-amino-6-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=CC=C3Cl)N

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=C(C=CC=C3Cl)N

InChI

InChI=1S/C13H18ClN3/c14-10-2-1-3-11(15)13(10)16-12-8-17-6-4-9(12)5-7-17/h1-3,9,12,16H,4-8,15H2/p+1/t12-/m0/s1