(3S)-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-[(4-benzyloxy-3-ethoxy-phenyl)methyl]quinuclidin-1-ium-3-amine CAS Name: (3S)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2C[NH+]3CCC2CC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN[C@@H]2C[NH+]3CCC2CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H30N2O2/c1-2-26-23-14-19(15-24-21-16-25-12-10-20(21)11-13-25)8-9-22(23)27-17-18-6-4-3-5-7-18/h3-9,14,20-21,24H,2,10-13,15-17H2,1H3/p+1/t21-/m1/s1