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

Systemtic Name: 1-(diphenylmethyl)-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzhydryl-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(4-ethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzhydryl-4-(4-ethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium Formula: C25H29N2O2S+ MolecularWeight: 421.57496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-2-21-13-15-24(16-14-21)30(28,29)27-19-17-26(18-20-27)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,25H,2,17-20H2,1H3/p+1