(3-chloranyl-2-methyl-phenyl)sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide

Systemtic Name: (3-chloranyl-2-methyl-phenyl)sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide Openeye Name: (3-chloro-2-methyl-phenyl)sulfonyl-[(2-morpholinopyridin-1-ium-4-yl)methyl]azanide CAS Name: (3-chloro-2-methylphenyl)sulfonyl-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]azanide IUPAC Name: (3-chloro-2-methylphenyl)sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide Traditional Name: (3-chloro-2-methyl-phenyl)sulfonyl-[(2-morpholinopyridin-1-ium-4-yl)methyl]azanide Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)[N-]CC2=CC(=[NH+]C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)[N-]CC2=CC(=[NH+]C=C2)N3CCOCC3

InChI

InChI=1S/C17H19ClN3O3S/c1-13-15(18)3-2-4-16(13)25(22,23)20-12-14-5-6-19-17(11-14)21-7-9-24-10-8-21/h2-6,11H,7-10,12H2,1H3/q-1/p+1