(2S)-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-[(3R)-quinuclidin-1-ium-3-yl]propanamide CAS Name: (2S)-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-[(3R)-quinuclidin-1-ium-3-yl]propionamide Formula: C14H28N4O+2 MolecularWeight: 268.39832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C[NH+]2CCC1CC2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1C[NH+]2CCC1CC2)N3CC[NH2+]CC3

InChI

InChI=1S/C14H26N4O/c1-11(18-8-4-15-5-9-18)14(19)16-13-10-17-6-2-12(13)3-7-17/h11-13,15H,2-10H2,1H3,(H,16,19)/p+2/t11-,13-/m0/s1