5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinolin-8-ol

Systemtic Name: 5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinolin-8-ol Openeye Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol CAS Name: 5-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-8-quinolinol IUPAC Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol Traditional Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=NC3=C(C=C2)O)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=NC3=C(C=C2)O)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c25-20-9-8-18(19-7-4-10-22-21(19)20)15-23-11-13-24(14-12-23)28(26,27)16-17-5-2-1-3-6-17/h1-10,25H,11-16H2/p+1