(3S)-N-[(2-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-[(2-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-[(2-benzyloxyphenyl)methyl]quinuclidin-1-ium-3-amine CAS Name: (3S)-N-[(2-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-[(2-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (2-benzoxybenzyl)-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NCC3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NCC3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C21H26N2O/c1-2-6-17(7-3-1)16-24-21-9-5-4-8-19(21)14-22-20-15-23-12-10-18(20)11-13-23/h1-9,18,20,22H,10-16H2/p+1/t20-/m1/s1