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

Systemtic Name: 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCNC(=O)C4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C18H22N4O2S/c23-16-11-21(10-7-19-16)12-17(24)22-8-5-13(6-9-22)18-20-14-3-1-2-4-15(14)25-18/h1-4,13H,5-12H2,(H,19,23)/p+1