1-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C18H21Cl2N2O3S+ MolecularWeight: 416.34194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H20Cl2N2O3S/c1-25-17-11-16(20)18(12-15(17)19)26(23,24)22-9-7-21(8-10-22)13-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3/p+1