N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,5,6-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-coumarilamide Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-16-13-21-18(3)24(30-23(21)14-17(16)2)25(28)26-15-22(27-11-5-6-12-27)19-7-9-20(29-4)10-8-19/h7-10,13-14,22H,5-6,11-12,15H2,1-4H3,(H,26,28)/p+1/t22-/m0/s1