[(3S)-3-(azepan-1-yl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylazanium

Systemtic Name: [(3S)-3-(azepan-1-yl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylazanium Openeye Name: [(3S)-3-(azepan-1-yl)quinuclidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-3-(1-azepanyl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylammonium IUPAC Name: [(3S)-3-(azepan-1-yl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylazanium Traditional Name: [(3S)-3-(azepan-1-yl)quinuclidin-1-ium-3-yl]methylammonium Formula: C14H29N3+2 MolecularWeight: 239.40016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2(C[NH+]3CCC2CC3)C[NH3+]

Isomeric SMILES

C1CCCN(CC1)[C@]2(C[NH+]3CCC2CC3)C[NH3+]

InChI

InChI=1S/C14H27N3/c15-11-14(17-7-3-1-2-4-8-17)12-16-9-5-13(14)6-10-16/h13H,1-12,15H2/p+2/t14-/m0/s1