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

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6-dimethyl-coumarilamide Formula: C24H28ClN2O2+ MolecularWeight: 411.94432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCCC4)C

InChI

InChI=1S/C24H27ClN2O2/c1-16-10-11-18-17(2)23(29-22(18)14-16)24(28)26-15-21(27-12-6-3-7-13-27)19-8-4-5-9-20(19)25/h4-5,8-11,14,21H,3,6-7,12-13,15H2,1-2H3,(H,26,28)/p+1/t21-/m0/s1