1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4,6-triisopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-(2,4,6-triisopropylphenyl)sulfonyl-piperazin-1-ium Formula: C27H39N2O4S+ MolecularWeight: 487.67456

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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=CC4=C(C=C3)OCO4)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C(C)C

InChI

InChI=1S/C27H38N2O4S/c1-18(2)22-14-23(19(3)4)27(24(15-22)20(5)6)34(30,31)29-11-9-28(10-12-29)16-21-7-8-25-26(13-21)33-17-32-25/h7-8,13-15,18-20H,9-12,16-17H2,1-6H3/p+1