1-(4-bromophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-(4-bromophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: 1-(4-bromophenyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(4-bromophenyl)-3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(4-bromophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: 1-(4-bromophenyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C23H24BrN2O3S+ MolecularWeight: 488.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23BrN2O3S/c24-21-8-5-19(6-9-21)23(27)11-12-25-13-15-26(16-14-25)30(28,29)22-10-7-18-3-1-2-4-20(18)17-22/h1-10,17H,11-16H2/p+1