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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(phenyl)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(phenyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-4-morpholin-4-iumyl(phenyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(phenyl)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(phenyl)methyl]-2-thienyl]-2-furamide Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-15-16(2)28-22(23-21(25)18-9-6-12-27-18)19(15)20(17-7-4-3-5-8-17)24-10-13-26-14-11-24/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1