1-(4-chloranyl-3-methoxy-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-3-methoxy-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(4-chloro-3-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(4-chloro-3-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C24H26ClN2O3S+ MolecularWeight: 457.99284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O3S/c1-30-23-18-21(12-13-22(23)25)31(28,29)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3/p+1