1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide bromide

Systemtic Name: 1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide bromide Openeye Name: 1-butyl-N-methyl-N-phenyl-quinuclidin-1-ium-2-carboxamide bromide CAS Name: 1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide bromide IUPAC Name: 1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide bromide Traditional Name: 1-butyl-N-methyl-N-phenyl-quinuclidin-1-ium-2-carboxamide bromide Formula: C19H29BrN2O MolecularWeight: 381.35036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N2O.BrH/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;1H/q+1;/p-1