N-(3-chloranyl-4-methoxy-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)N3CCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)N3CCCC3)Cl

InChI

InChI=1S/C17H18ClN3O2/c1-23-15-7-6-12(11-14(15)18)20-17(22)13-5-4-8-19-16(13)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)/p+1