5-chloranyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-N-[(2R)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: 5-chloro-N-[(2R)-2-(2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: 5-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-N-[(2R)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-3,6-dimethyl-coumarilamide Formula: C21H24ClN2O4+ MolecularWeight: 403.87926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=CO3)[NH+]4CCOCC4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCOCC4)C)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-13-10-19-15(11-16(13)22)14(2)20(28-19)21(25)23-12-17(18-4-3-7-27-18)24-5-8-26-9-6-24/h3-4,7,10-11,17H,5-6,8-9,12H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1