1-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(3,4-dichloro-2-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3,4-dichloro-2-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(3,4-dichloro-2-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C18H21Cl2N2O3S+ MolecularWeight: 416.34194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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