1-(5-tert-butyl-2-ethoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-tert-butyl-2-ethoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-tert-butyl-2-ethoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-tert-butyl-2-ethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(5-tert-butyl-2-ethoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3S/c1-5-28-21-12-11-20(23(2,3)4)17-22(21)29(26,27)25-15-13-24(14-16-25)18-19-9-7-6-8-10-19/h6-12,17H,5,13-16,18H2,1-4H3/p+1