5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole

Systemtic Name: 5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole Openeye Name: 5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole CAS Name: 5-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]-2,1,3-benzothiadiazole IUPAC Name: 5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole Traditional Name: 5-[[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]methyl]piazthiole Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NSN=C3C=C2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H27N5S/c1-2-5-19(6-3-1)26-11-13-27(14-12-26)20-7-4-10-25(17-20)16-18-8-9-21-22(15-18)24-28-23-21/h1-3,5-6,8-9,15,20H,4,7,10-14,16-17H2/p+1/t20-/m0/s1