5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C21H21N5OS/c1-2-7-16(8-3-1)20-23-19(27-24-20)15-25-11-6-12-26(14-13-25)21-22-17-9-4-5-10-18(17)28-21/h1-5,7-10H,6,11-15H2/p+1