1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium Formula: C19H31N2O4S+ MolecularWeight: 383.52544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3CCCCC3)OC

InChI

InChI=1S/C19H30N2O4S/c1-24-18-9-8-17(14-19(18)25-2)26(22,23)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13,15H2,1-2H3/p+1