(3S)-N-butyl-N-methyl-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-butyl-N-methyl-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-butyl-N-methyl-quinuclidin-1-ium-3-amine CAS Name: (3S)-N-butyl-N-methyl-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-butyl-N-methyl-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: butyl-methyl-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C12H25N2+ MolecularWeight: 197.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1C[NH+]2CCC1CC2

Isomeric SMILES

CCCCN(C)[C@@H]1C[NH+]2CCC1CC2

InChI

InChI=1S/C12H24N2/c1-3-4-7-13(2)12-10-14-8-5-11(12)6-9-14/h11-12H,3-10H2,1-2H3/p+1/t12-/m1/s1