methyl 4-(1-methylpiperazin-1-ium-1-yl)-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(1-methylpiperazin-1-ium-1-yl)-3-methylsulfonyl-benzoate Openeye Name: methyl 4-(1-methylpiperazin-1-ium-1-yl)-3-methylsulfonyl-benzoate CAS Name: 4-(1-methyl-1-piperazin-1-iumyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(1-methylpiperazin-1-ium-1-yl)-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-(1-methylpiperazin-1-ium-1-yl)benzoic acid methyl ester Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

C[N+]1(CCNCC1)C2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C14H21N2O4S/c1-16(8-6-15-7-9-16)12-5-4-11(14(17)20-2)10-13(12)21(3,18)19/h4-5,10,15H,6-9H2,1-3H3/q+1