1-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyridin-1-ium-3-yl]ethanone

Systemtic Name: 1-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[(3-morpholinosulfonylphenyl)methyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-[1-(3-morpholinosulfonylbenzyl)pyridin-1-ium-3-yl]ethanone Formula: C18H21N2O4S+ MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21N2O4S/c1-15(21)17-5-3-7-19(14-17)13-16-4-2-6-18(12-16)25(22,23)20-8-10-24-11-9-20/h2-7,12,14H,8-11,13H2,1H3/q+1