[4-[[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[5-(1,3-benzothiazol-2-yl)-2-furoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

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