1-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C22H24N3O6S+ MolecularWeight: 458.50746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-31-22-9-7-17(14-20(22)25(27)28)32(29,30)24-12-10-23(11-13-24)15-19-18-5-3-2-4-16(18)6-8-21(19)26/h2-9,14,26H,10-13,15H2,1H3/p+1