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

Systemtic Name: 1-(1-adamantyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(2,4,6-triisopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(2,4,6-triisopropylphenyl)sulfonyl-piperazin-1-ium Formula: C29H47N2O2S+ MolecularWeight: 487.76068

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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)C34CC5CC(C3)CC(C5)C4)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C(C)C

InChI

InChI=1S/C29H46N2O2S/c1-19(2)25-14-26(20(3)4)28(27(15-25)21(5)6)34(32,33)31-9-7-30(8-10-31)29-16-22-11-23(17-29)13-24(12-22)18-29/h14-15,19-24H,7-13,16-18H2,1-6H3/p+1