methyl 3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)CC[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H26N4O5S/c1-25-17(22)4-5-19-6-8-20(9-7-19)16-3-2-15(14-18-16)27(23,24)21-10-12-26-13-11-21/h2-3,14H,4-13H2,1H3/p+1