1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-cyclohexylphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C24H31N2O4S+ MolecularWeight: 443.57894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H30N2O4S/c27-31(28,22-9-7-21(8-10-22)20-4-2-1-3-5-20)26-14-12-25(13-15-26)17-19-6-11-23-24(16-19)30-18-29-23/h6-11,16,20H,1-5,12-15,17-18H2/p+1