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

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-coumarilamide Formula: C27H35N2O2+ MolecularWeight: 419.579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O2/c1-18-8-13-22-19(2)25(31-24(22)16-18)26(30)28-17-23(29-14-6-7-15-29)20-9-11-21(12-10-20)27(3,4)5/h8-13,16,23H,6-7,14-15,17H2,1-5H3,(H,28,30)/p+1/t23-/m0/s1