1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-phthalazin-2-ium

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-phthalazin-2-ium Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-4-methyl-phthalazin-2-ium CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-4-methylphthalazin-2-ium IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-methylphthalazin-2-ium Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-4-methyl-phthalazin-2-ium Formula: C17H18BrN4O2S2+ MolecularWeight: 454.38442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C17H17BrN4O2S2/c1-12-13-4-2-3-5-14(13)17(20-19-12)21-8-10-22(11-9-21)26(23,24)16-7-6-15(18)25-16/h2-7H,8-11H2,1H3/p+1