3-chloranyl-4,5-dimethoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide

Systemtic Name: 3-chloranyl-4,5-dimethoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 3-chloro-4,5-dimethoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 3-chloro-4,5-dimethoxy-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 3-chloro-4,5-dimethoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 3-chloro-4,5-dimethoxy-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)Cl)OC

InChI

InChI=1S/C18H20ClN3O3/c1-24-15-10-12(9-14(19)17(15)25-2)18(23)21-13-5-6-16(20-11-13)22-7-3-4-8-22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,23)/p+1