2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2S2/c23-26(24,15-16-6-2-1-3-7-16)22-12-10-21(11-13-22)14-19-20-17-8-4-5-9-18(17)25-19/h1-9H,10-15H2/p+1