N-butyl-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)naphthalene-1-carboxamide iodide

Systemtic Name: N-butyl-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)naphthalene-1-carboxamide iodide Openeye Name: N-butyl-N-(1-methylquinuclidin-1-ium-2-yl)naphthalene-1-carboxamide iodide CAS Name: N-butyl-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-1-naphthalenecarboxamide iodide IUPAC Name: N-butyl-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)naphthalene-1-carboxamide iodide Traditional Name: N-butyl-N-(1-methylquinuclidin-1-ium-2-yl)-1-naphthamide iodide Formula: C23H31IN2O MolecularWeight: 478.40951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CC2CC[N+]1(CC2)C)C(=O)C3=CC=CC4=CC=CC=C43.[I-]

Isomeric SMILES

CCCCN(C1CC2CC[N+]1(CC2)C)C(=O)C3=CC=CC4=CC=CC=C43.[I-]

InChI

InChI=1S/C23H31N2O.HI/c1-3-4-14-24(22-17-18-12-15-25(22,2)16-13-18)23(26)21-11-7-9-19-8-5-6-10-20(19)21;/h5-11,18,22H,3-4,12-17H2,1-2H3;1H/q+1;/p-1