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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]propan-1-one Formula: C25H31N4OS+ MolecularWeight: 435.60484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=NC3=CC=CC=C3S2)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=NC3=CC=CC=C3S2)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4OS/c30-25(13-12-24-26-22-10-4-5-11-23(22)31-24)29-14-6-9-21(19-29)28-17-15-27(16-18-28)20-7-2-1-3-8-20/h1-5,7-8,10-11,21H,6,9,12-19H2/p+1/t21-/m0/s1