(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-[(4-methoxypyridin-3-yl)methyl]-oxidanyl-(phenylsulfonyl)azanium

Systemtic Name: (1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-[(4-methoxypyridin-3-yl)methyl]-oxidanyl-(phenylsulfonyl)azanium Openeye Name: benzenesulfonyl-(1-carbamoyl-2-methyl-propyl)-hydroxy-[(4-methoxy-3-pyridyl)methyl]ammonium CAS Name: (1-amino-3-methyl-1-oxobutan-2-yl)-(benzenesulfonyl)-hydroxy-[(4-methoxy-3-pyridinyl)methyl]ammonium IUPAC Name: (1-amino-3-methyl-1-oxobutan-2-yl)-(benzenesulfonyl)-hydroxy-[(4-methoxypyridin-3-yl)methyl]azanium Traditional Name: besyl-(1-carbamoyl-2-methyl-propyl)-hydroxy-[(4-methoxy-3-pyridyl)methyl]ammonium Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)[N+](CC1=C(C=CN=C1)OC)(O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)N)[N+](CC1=C(C=CN=C1)OC)(O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O5S/c1-13(2)17(18(19)22)21(23,12-14-11-20-10-9-16(14)26-3)27(24,25)15-7-5-4-6-8-15/h4-11,13,17,23H,12H2,1-3H3,(H-,19,22)/p+1