2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H22N4OS/c22-16(20-7-3-4-8-20)13-19-9-11-21(12-10-19)17-18-14-5-1-2-6-15(14)23-17/h1-2,5-6H,3-4,7-13H2/p+1