N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[3-[(S)-(3-bromophenyl)-(4-morpholin-4-iumyl)methyl]-4,5-dimethyl-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(S)-(3-bromophenyl)-morpholin-4-ium-4-yl-methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C22H24BrN2O3S+ MolecularWeight: 476.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC(=CC=C2)Br)[NH+]3CCOCC3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC(=CC=C2)Br)[NH+]3CCOCC3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C22H23BrN2O3S/c1-14-15(2)29-22(24-21(26)18-7-4-10-28-18)19(14)20(25-8-11-27-12-9-25)16-5-3-6-17(23)13-16/h3-7,10,13,20H,8-9,11-12H2,1-2H3,(H,24,26)/p+1/t20-/m0/s1