N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,5,6-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5,6-trimethyl-coumarilamide Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C)C

InChI

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