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

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4,6-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,4,6-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4,6-trimethyl-coumarilamide Formula: C28H37N2O2+ MolecularWeight: 433.60558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C(OC2=C1)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4)C)C

InChI

InChI=1S/C28H36N2O2/c1-18-15-19(2)25-20(3)26(32-24(25)16-18)27(31)29-17-23(30-13-7-8-14-30)21-9-11-22(12-10-21)28(4,5)6/h9-12,15-16,23H,7-8,13-14,17H2,1-6H3,(H,29,31)/p+1/t23-/m0/s1