3-(1,3-benzothiazol-2-yl)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O2S/c26-20(9-8-19-22-17-6-2-3-7-18(17)28-19)25-14-12-23(13-15-25)16-21(27)24-10-4-1-5-11-24/h2-3,6-7H,1,4-5,8-16H2/p+1