[4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-(2-methylpyridin-4-yl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-(2-methylpyridin-4-yl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(6-bromo-2-naphthyl)sulfonyl]-4-(2-methyl-4-pyridyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(6-bromo-2-naphthalenyl)sulfonyl]-4-(2-methyl-4-pyridinyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(6-bromonaphthalen-2-yl)sulfonyl-4-(2-methylpyridin-4-yl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(6-bromo-2-naphthyl)sulfonyl]-4-(2-methyl-4-pyridyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C27H25BrN3O3S+ MolecularWeight: 551.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)[N+]2(CCN(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

CC1=NC=CC(=C1)[N+]2(CCN(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C27H25BrN3O3S/c1-20-17-25(11-12-29-20)31(15-13-30(14-16-31)27(32)21-5-3-2-4-6-21)35(33,34)26-10-8-22-18-24(28)9-7-23(22)19-26/h2-12,17-19H,13-16H2,1H3/q+1