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

Systemtic Name: (3S)-N-[(3-ethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-[(3-ethoxyphenyl)methyl]quinuclidin-1-ium-3-amine CAS Name: (3S)-N-[(3-ethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-[(3-ethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (3-ethoxybenzyl)-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC2C[NH+]3CCC2CC3

Isomeric SMILES

CCOC1=CC=CC(=C1)CN[C@@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C16H24N2O/c1-2-19-15-5-3-4-13(10-15)11-17-16-12-18-8-6-14(16)7-9-18/h3-5,10,14,16-17H,2,6-9,11-12H2,1H3/p+1/t16-/m1/s1