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

Systemtic Name: [4-(2-methylpropyl)phenyl]sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide Openeye Name: (4-isobutylphenyl)sulfonyl-[(2-morpholinopyridin-1-ium-4-yl)methyl]azanide CAS Name: [4-(2-methylpropyl)phenyl]sulfonyl-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]azanide IUPAC Name: [4-(2-methylpropyl)phenyl]sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide Traditional Name: (4-isobutylphenyl)sulfonyl-[(2-morpholinopyridin-1-ium-4-yl)methyl]azanide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)[N-]CC2=CC(=[NH+]C=C2)N3CCOCC3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)[N-]CC2=CC(=[NH+]C=C2)N3CCOCC3

InChI

InChI=1S/C20H26N3O3S/c1-16(2)13-17-3-5-19(6-4-17)27(24,25)22-15-18-7-8-21-20(14-18)23-9-11-26-12-10-23/h3-8,14,16H,9-13,15H2,1-2H3/q-1/p+1