1-[(5-chloranyl-2-methoxy-phenyl)methyl]-4-(2-chlorophenyl)sulfonyl-piperazin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

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