[4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-2-yl]-piperidin-1-yl-methanone Openeye Name: [4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-2-yl]-(1-piperidyl)methanone CAS Name: [4-[(6-bromo-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-2-piperazin-4-iumyl]-(1-piperidinyl)methanone IUPAC Name: [4-(6-bromonaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazin-4-ium-2-yl]-piperidin-1-ylmethanone Traditional Name: [4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-2-yl]-piperidino-methanone Formula: C25H28BrN4O3S+ MolecularWeight: 544.48382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2C[N+](CCN2)(C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)C(=O)C2C[N+](CCN2)(C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C25H28BrN4O3S/c26-21-6-4-20-17-23(7-5-19(20)16-21)34(32,33)30(22-8-10-27-11-9-22)15-12-28-24(18-30)25(31)29-13-2-1-3-14-29/h4-11,16-17,24,28H,1-3,12-15,18H2/q+1