N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,5,6-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-coumarilamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4)C)C

InChI

InChI=1S/C22H26N2O3/c1-14-11-17-16(3)21(27-20(17)12-15(14)2)22(25)23-13-18(19-7-6-10-26-19)24-8-4-5-9-24/h6-7,10-12,18H,4-5,8-9,13H2,1-3H3,(H,23,25)/p+1/t18-/m1/s1