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

Systemtic Name: N1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-bromanyl-benzene-1,2-diamine Openeye Name: 4-bromo-N1-[(3R)-quinuclidin-1-ium-3-yl]benzene-1,2-diamine CAS Name: N1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-bromobenzene-1,2-diamine IUPAC Name: 1-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-bromobenzene-1,2-diamine Traditional Name: (2-amino-4-bromo-phenyl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C13H19BrN3+ MolecularWeight: 297.21406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3/c14-10-1-2-12(11(15)7-10)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