N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-30-23-16-20(11-12-22(23)31-18-19-8-3-2-4-9-19)17-27-25(29)21-10-7-13-26-24(21)28-14-5-6-15-28/h2-4,7-13,16H,5-6,14-15,17-18H2,1H3,(H,27,29)/p+1