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

Systemtic Name: 5-bromanyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-coumarilamide Formula: C24H28BrN2O3+ MolecularWeight: 472.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C24H27BrN2O3/c1-16-20-14-18(25)8-11-22(20)30-23(16)24(28)26-15-21(27-12-4-3-5-13-27)17-6-9-19(29-2)10-7-17/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,28)/p+1/t21-/m1/s1