1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Formula: C23H24N5O2S+ MolecularWeight: 434.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O2S/c29-22(11-10-20-25-23(26-30-20)17-6-2-1-3-7-17)28-14-12-27(13-15-28)16-21-24-18-8-4-5-9-19(18)31-21/h1-9H,10-16H2/p+1