(2S)-1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: (2S)-1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide Openeye Name: (2S)-1-butyl-N-methyl-N-phenyl-quinuclidin-1-ium-2-carboxamide CAS Name: (2S)-1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: (2S)-1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide Traditional Name: (2S)-1-butyl-N-methyl-N-phenyl-quinuclidin-1-ium-2-carboxamide Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]12CCC(CC1)CC2C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CCCC[N+]12CCC(CC1)C[C@H]2C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C19H29N2O/c1-3-4-12-21-13-10-16(11-14-21)15-18(21)19(22)20(2)17-8-6-5-7-9-17/h5-9,16,18H,3-4,10-15H2,1-2H3/q+1/t16?,18-,21?/m0/s1