[(2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[5-(1,3-benzothiazol-2-yl)-2-furoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O2S/c1-25(2)14-17(15-8-4-3-5-9-15)23-21(26)18-12-13-19(27-18)22-24-16-10-6-7-11-20(16)28-22/h3-13,17H,14H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1