3,4-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: 3,4-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 3,4-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 3,4-dimethyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 3,4-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3,4-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C14H20N2O4S/c1-10-8-12(14(17)18)9-13(11(10)2)21(19,20)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,17,18)