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

Systemtic Name: [2-[4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]carbonylphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-carbonyl]phenyl]-(1-piperidyl)methanone CAS Name: [2-[[4-[(6-bromo-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-1-piperazin-4-iumyl]-oxomethyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[4-(6-bromonaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazin-4-ium-1-carbonyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [2-[4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-carbonyl]phenyl]-piperidino-methanone Formula: C32H32BrN4O4S+ MolecularWeight: 648.58988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)N3CC[N+](CC3)(C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Br

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)N3CC[N+](CC3)(C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Br

InChI

InChI=1S/C32H32BrN4O4S/c33-26-10-8-25-23-28(11-9-24(25)22-26)42(40,41)37(27-12-14-34-15-13-27)20-18-36(19-21-37)32(39)30-7-3-2-6-29(30)31(38)35-16-4-1-5-17-35/h2-3,6-15,22-23H,1,4-5,16-21H2/q+1