1-(5-chloranyl-2-ethoxy-4-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-chloranyl-2-ethoxy-4-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O3S/c1-3-26-19-13-16(2)18(21)14-20(19)27(24,25)23-11-9-22(10-12-23)15-17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3/p+1