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

Systemtic Name: N-butyl-N-[1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]naphthalene-1-carboxamide Openeye Name: N-(1-benzylquinuclidin-1-ium-2-yl)-N-butyl-naphthalene-1-carboxamide CAS Name: N-butyl-N-[1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-1-naphthalenecarboxamide IUPAC Name: N-(1-benzyl-1-azoniabicyclo[2.2.2]octan-2-yl)-N-butylnaphthalene-1-carboxamide Traditional Name: N-(1-benzylquinuclidin-1-ium-2-yl)-N-butyl-1-naphthamide Formula: C29H35N2O+ MolecularWeight: 427.601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CC2CC[N+]1(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCN(C1CC2CC[N+]1(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H35N2O/c1-2-3-18-30(29(32)27-15-9-13-25-12-7-8-14-26(25)27)28-21-23-16-19-31(28,20-17-23)22-24-10-5-4-6-11-24/h4-15,23,28H,2-3,16-22H2,1H3/q+1