N-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-2-furamide Formula: C18H22ClN2O4+ MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=C(O2)C[NH+]3CCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=C(O2)C[NH+]3CCCC3)OC)Cl

InChI

InChI=1S/C18H21ClN2O4/c1-23-16-10-14(17(24-2)9-13(16)19)20-18(22)15-6-5-12(25-15)11-21-7-3-4-8-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,20,22)/p+1