methyl 2-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: methyl 2-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: methyl 2-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoic acid methyl ester Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-3-15-8-10-16(11-9-15)21(18,19)13-7-5-4-6-12(13)14(17)20-2/h4-7H,3,8-11H2,1-2H3/p+1