2-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: 2-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: 2-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 2-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzoate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-2-7-15-8-10-16(11-9-15)21(19,20)13-6-4-3-5-12(13)14(17)18/h3-6H,2,7-11H2,1H3,(H,17,18)