methyl 3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C15H20N3O5S2+ MolecularWeight: 386.4664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C15H19N3O5S2/c1-11-9-12(23-16-11)10-17-4-6-18(7-5-17)25(20,21)13-3-8-24-14(13)15(19)22-2/h3,8-9H,4-7,10H2,1-2H3/p+1