2-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(1-methylquinuclidin-1-ium-3-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-methylquinuclidin-1-ium-3-yl)amino]-3-phenyl-propionic acid Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H24N2O2/c1-19-9-7-14(8-10-19)16(12-19)18-15(17(20)21)11-13-5-3-2-4-6-13/h2-6,14-16,18H,7-12H2,1H3/p+1