2-[(2-chlorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylamino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 2-[(2-chlorophenyl)methylamino]-N-[[(2S)-2-oxolanyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 2-[(2-chlorobenzyl)amino]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1C[C@H](OC1)CNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H20ClN3O2/c19-16-8-2-1-5-13(16)11-21-17-15(7-3-9-20-17)18(23)22-12-14-6-4-10-24-14/h1-3,5,7-9,14H,4,6,10-12H2,(H,20,21)(H,22,23)/p+1/t14-/m0/s1