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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H28N4OS/c29-23(18-26-14-16-27(17-15-26)20-6-2-1-3-7-20)28-12-10-19(11-13-28)24-25-21-8-4-5-9-22(21)30-24/h1-9,19H,10-18H2/p+1