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

Systemtic Name: 1-[2,3-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(2,3-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,3-dichloro-4-methoxyphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(2,3-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C24H25Cl2N2O3S+ MolecularWeight: 492.4379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C24H24Cl2N2O3S/c1-31-20-12-13-21(23(26)22(20)25)32(29,30)28-16-14-27(15-17-28)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,24H,14-17H2,1H3/p+1