N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-coumarilamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4)C

InChI

InChI=1S/C21H24N2O3/c1-14-7-8-16-15(2)20(26-19(16)12-14)21(24)22-13-17(18-6-5-11-25-18)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