[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-[(4-chlorophenyl)methyl]azanium

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-[(4-chlorophenyl)methyl]azanium Openeye Name: (4-chlorophenyl)methyl-[(3S)-quinuclidin-1-ium-3-yl]ammonium CAS Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-[(4-chlorophenyl)methyl]ammonium IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-[(4-chlorophenyl)methyl]azanium Traditional Name: (4-chlorobenzyl)-[(3S)-quinuclidin-1-ium-3-yl]ammonium Formula: C14H21ClN2+2 MolecularWeight: 252.78294

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)[NH2+]CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)[NH2+]CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H19ClN2/c15-13-3-1-11(2-4-13)9-16-14-10-17-7-5-12(14)6-8-17/h1-4,12,14,16H,5-10H2/p+2/t14-/m1/s1