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

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C[N+](=CC=C2)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C[N+](=CC=C2)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C18H20ClN3O2/c19-16-8-2-1-7-15(16)17(21-9-3-4-10-21)12-20-18(23)14-6-5-11-22(24)13-14/h1-2,5-8,11,13,17H,3-4,9-10,12H2,(H,20,23)/p+1/t17-/m0/s1