methyl 6-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate Openeye Name: methyl 6-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-morpholinosulfonyl-pyridine-3-carboxylate CAS Name: 6-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]-5-(4-morpholinylsulfonyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate Traditional Name: 6-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-morpholinosulfonyl-nicotinic acid methyl ester Formula: C20H28N5O6S+ MolecularWeight: 466.53122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(=O)OC)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(=O)OC)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H27N5O6S/c1-15-11-17(31-22-15)14-23-3-5-24(6-4-23)19-18(12-16(13-21-19)20(26)29-2)32(27,28)25-7-9-30-10-8-25/h11-13H,3-10,14H2,1-2H3/p+1