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

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

C1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N4OS/c29-23(18-26-13-15-27(16-14-26)20-8-2-1-3-9-20)28-12-6-7-19(17-28)24-25-21-10-4-5-11-22(21)30-24/h1-5,8-11,19H,6-7,12-18H2/p+1/t19-/m1/s1