N-[2-(3-carbamimidoylphenoxy)ethyl]-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-1-methyl-quinuclidin-1-ium-2-carboxamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide Traditional Name: N-[2-(3-amidinophenoxy)ethyl]-1-methyl-quinuclidin-1-ium-2-carboxamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)CC2C(=O)NCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C[N+]12CCC(CC1)CC2C(=O)NCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C18H26N4O2/c1-22-8-5-13(6-9-22)11-16(22)18(23)21-7-10-24-15-4-2-3-14(12-15)17(19)20/h2-4,12-13,16H,5-11H2,1H3,(H3-,19,20,21,23)/p+1