5-bromanyl-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-3-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C20H22BrN2O2S+ MolecularWeight: 434.36988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C20H21BrN2O2S/c1-13-15-11-14(21)6-7-17(15)25-19(13)20(24)22-12-16(18-5-4-10-26-18)23-8-2-3-9-23/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H,22,24)/p+1/t16-/m0/s1