ethyl 4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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