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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-piperidino-ethanone Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N3OS/c23-18(22-10-4-1-5-11-22)14-21-12-8-15(9-13-21)19-20-16-6-2-3-7-17(16)24-19/h2-3,6-7,15H,1,4-5,8-14H2/p+1