1-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(3,4-dichloro-2-methoxy-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3,4-dichloro-2-methoxy-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C16H18Cl2N3O3S+ MolecularWeight: 403.30342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17Cl2N3O3S/c1-24-16-13(6-5-12(17)15(16)18)25(22,23)21-10-8-20(9-11-21)14-4-2-3-7-19-14/h2-7H,8-11H2,1H3/p+1