N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,5-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-coumarilamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C21H24N2O3/c1-14-7-8-18-16(12-14)15(2)20(26-18)21(24)22-13-17(19-6-5-11-25-19)23-9-3-4-10-23/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1