1-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol

Systemtic Name: 1-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol Openeye Name: 1-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol CAS Name: 1-[[4-(2-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methoxy-2-naphthalenol IUPAC Name: 1-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxynaphthalen-2-ol Traditional Name: 1-[[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-2-naphthol Formula: C22H24BrN2O4S+ MolecularWeight: 492.40596

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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=C4Br)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br)O

InChI

InChI=1S/C22H23BrN2O4S/c1-29-17-8-6-16-7-9-21(26)19(18(16)14-17)15-24-10-12-25(13-11-24)30(27,28)22-5-3-2-4-20(22)23/h2-9,14,26H,10-13,15H2,1H3/p+1