N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=C[N+](=CC=C2)[O-])[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=C[N+](=CC=C2)[O-])[NH+]3CCCC3

InChI

InChI=1S/C19H23N3O3/c1-25-17-8-4-6-15(12-17)18(21-9-2-3-10-21)13-20-19(23)16-7-5-11-22(24)14-16/h4-8,11-12,14,18H,2-3,9-10,13H2,1H3,(H,20,23)/p+1/t18-/m0/s1