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

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3,6-dimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C21H24ClN2O2S+ MolecularWeight: 403.94546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4)C)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-13-10-18-15(11-16(13)22)14(2)20(26-18)21(25)23-12-17(19-6-5-9-27-19)24-7-3-4-8-24/h5-6,9-11,17H,3-4,7-8,12H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1