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

Systemtic Name: 3-methyl-1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazino]butan-1-one Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-15(2)13-18(23)21-7-5-20(6-8-21)17-4-3-16(14-19-17)27(24,25)22-9-11-26-12-10-22/h3-4,14-15H,5-13H2,1-2H3/p+1