(4-methoxyphenyl)sulfonyl-(3-methylbutanoyl)-oxidanyl-(pyridin-3-ylmethylamino)azanium

Systemtic Name: (4-methoxyphenyl)sulfonyl-(3-methylbutanoyl)-oxidanyl-(pyridin-3-ylmethylamino)azanium Openeye Name: hydroxy-(4-methoxyphenyl)sulfonyl-(3-methylbutanoyl)-(3-pyridylmethylamino)ammonium CAS Name: hydroxy-(4-methoxyphenyl)sulfonyl-(3-methyl-1-oxobutyl)-(3-pyridinylmethylamino)ammonium IUPAC Name: hydroxy-(4-methoxyphenyl)sulfonyl-(3-methylbutanoyl)-(pyridin-3-ylmethylamino)azanium Traditional Name: hydroxy-isovaleryl-(4-methoxyphenyl)sulfonyl-(3-pyridylmethylamino)ammonium Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)[N+](NCC1=CN=CC=C1)(O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC(=O)[N+](NCC1=CN=CC=C1)(O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H24N3O5S/c1-14(2)11-18(22)21(23,20-13-15-5-4-10-19-12-15)27(24,25)17-8-6-16(26-3)7-9-17/h4-10,12,14,20,23H,11,13H2,1-3H3/q+1