3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propyl 3,4-dimethoxybenzoate

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propyl 3,4-dimethoxybenzoate Openeye Name: 3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propyl ester IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 3-(4-tosylpiperazin-1-ium-1-yl)propyl ester Formula: C23H31N2O6S+ MolecularWeight: 463.56704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O6S/c1-18-5-8-20(9-6-18)32(27,28)25-14-12-24(13-15-25)11-4-16-31-23(26)19-7-10-21(29-2)22(17-19)30-3/h5-10,17H,4,11-16H2,1-3H3/p+1