N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C18H22N3O3+ MolecularWeight: 328.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-23-14-10-13(11-15(12-14)24-2)20-18(22)16-6-5-7-19-17(16)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,20,22)/p+1