5-chloranyl-3,6-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]coumarilamide Formula: C23H28ClN2O3+ MolecularWeight: 415.93302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C)[NH+]4CCCCC4

InChI

InChI=1S/C23H27ClN2O3/c1-14-11-21-17(12-18(14)24)16(3)22(29-21)23(27)25-13-19(20-8-7-15(2)28-20)26-9-5-4-6-10-26/h7-8,11-12,19H,4-6,9-10,13H2,1-3H3,(H,25,27)/p+1/t19-/m0/s1