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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N4OS/c29-23(28-15-13-27(14-16-28)20-8-2-1-3-9-20)18-26-12-6-7-19(17-26)24-25-21-10-4-5-11-22(21)30-24/h1-5,8-11,19H,6-7,12-18H2/p+1/t19-/m0/s1