1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazino]pentan-1-one Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H28N4O4S/c1-2-3-4-18(23)21-9-7-20(8-10-21)17-6-5-16(15-19-17)27(24,25)22-11-13-26-14-12-22/h5-6,15H,2-4,7-14H2,1H3/p+1