1-(1,3-benzoxazol-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]isonipecotamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H27N5O2/c29-22(25-16-17-7-8-21(24-15-17)27-11-3-4-12-27)18-9-13-28(14-10-18)23-26-19-5-1-2-6-20(19)30-23/h1-2,5-8,15,18H,3-4,9-14,16H2,(H,25,29)/p+1