(3S)-N-pyridin-1-ium-4-yl-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-pyridin-1-ium-4-yl-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-pyridin-1-ium-4-ylquinuclidin-1-ium-3-amine CAS Name: (3S)-N-(4-pyridin-1-iumyl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-pyridin-1-ium-4-yl-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: pyridin-1-ium-4-yl-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C12H19N3+2 MolecularWeight: 205.29936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3/c1-5-13-6-2-11(1)14-12-9-15-7-3-10(12)4-8-15/h1-2,5-6,10,12H,3-4,7-9H2,(H,13,14)/p+2/t12-/m1/s1