1-(phenylmethyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-(2,4,6-triisopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,4,6-triisopropylphenyl)sulfonyl-piperazin-1-ium Formula: C26H39N2O2S+ MolecularWeight: 443.66506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2S/c1-19(2)23-16-24(20(3)4)26(25(17-23)21(5)6)31(29,30)28-14-12-27(13-15-28)18-22-10-8-7-9-11-22/h7-11,16-17,19-21H,12-15,18H2,1-6H3/p+1