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

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C22H26ClN2O2S+ MolecularWeight: 417.97204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4)C)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-14-11-19-16(12-17(14)23)15(2)21(27-19)22(26)24-13-18(20-7-6-10-28-20)25-8-4-3-5-9-25/h6-7,10-12,18H,3-5,8-9,13H2,1-2H3,(H,24,26)/p+1/t18-/m0/s1