1-(diphenylmethyl)-4-(4-pentylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(4-pentylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzhydryl-4-(4-pentylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(4-pentylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzhydryl-4-(4-pentylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-amylphenyl)sulfonyl-4-benzhydryl-piperazin-4-ium Formula: C28H35N2O2S+ MolecularWeight: 463.6547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N2O2S/c1-2-3-6-11-24-16-18-27(19-17-24)33(31,32)30-22-20-29(21-23-30)28(25-12-7-4-8-13-25)26-14-9-5-10-15-26/h4-5,7-10,12-19,28H,2-3,6,11,20-23H2,1H3/p+1