N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,7-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,6,7-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,7-trimethyl-coumarilamide Formula: C25H30ClN2O2+ MolecularWeight: 425.9709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=C(C=C3)Cl)[NH+]4CCCCC4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=C(C=C3)Cl)[NH+]4CCCCC4)C)C

InChI

InChI=1S/C25H29ClN2O2/c1-16-7-12-21-18(3)24(30-23(21)17(16)2)25(29)27-15-22(28-13-5-4-6-14-28)19-8-10-20(26)11-9-19/h7-12,22H,4-6,13-15H2,1-3H3,(H,27,29)/p+1/t22-/m0/s1