5-chloranyl-3,6-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]coumarilamide Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C)[NH+]4CCCC4

InChI

InChI=1S/C22H25ClN2O3/c1-13-10-20-16(11-17(13)23)15(3)21(28-20)22(26)24-12-18(25-8-4-5-9-25)19-7-6-14(2)27-19/h6-7,10-11,18H,4-5,8-9,12H2,1-3H3,(H,24,26)/p+1/t18-/m0/s1