7-methoxy-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 7-methoxy-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-7-methoxy-2-naphthalenol IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-7-methoxynaphthalen-2-ol Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-7-methoxy-2-naphthol Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C22H24N2O4S/c1-28-18-9-7-17-8-10-22(25)21(20(17)15-18)16-23-11-13-24(14-12-23)29(26,27)19-5-3-2-4-6-19/h2-10,15,25H,11-14,16H2,1H3/p+1