1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]piperidine-2,6-dione

Systemtic Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]piperidine-2,6-dione Openeye Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]piperidine-2,6-dione CAS Name: 1-[4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]piperidine-2,6-dione IUPAC Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidine-2,6-dione Traditional Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]piperidine-2,6-quinone Formula: C21H25N4O5S+ MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CCCC2=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CCCC2=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N4O5S/c1-30-17-9-8-16(25-20(26)6-4-7-21(25)27)15-18(17)31(28,29)24-13-11-23(12-14-24)19-5-2-3-10-22-19/h2-3,5,8-10,15H,4,6-7,11-14H2,1H3/p+1