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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=C(C=C3)Cl)[NH+]4CCCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C(OC2=C1)C(=O)NC[C@@H](C3=CC=C(C=C3)Cl)[NH+]4CCCCC4)C)C

InChI

InChI=1S/C25H29ClN2O2/c1-16-13-17(2)23-18(3)24(30-22(23)14-16)25(29)27-15-21(28-11-5-4-6-12-28)19-7-9-20(26)10-8-19/h7-10,13-14,21H,4-6,11-12,15H2,1-3H3,(H,27,29)/p+1/t21-/m0/s1