5-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 5-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-ethyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-coumarilamide Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C26H32N2O3/c1-4-19-8-13-24-22(16-19)18(2)25(31-24)26(29)27-17-23(28-14-6-5-7-15-28)20-9-11-21(30-3)12-10-20/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,27,29)/p+1/t23-/m1/s1