methyl sulfate; trimethyl-[4-[[(4-methyl-3-oxidanyl-phenyl)amino]methyl]phenyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[4-[[(4-methyl-3-oxidanyl-phenyl)amino]methyl]phenyl]azanium Openeye Name: [4-[(3-hydroxy-4-methyl-anilino)methyl]phenyl]-trimethyl-ammonium; methyl sulfate CAS Name: [4-[(3-hydroxy-4-methylanilino)methyl]phenyl]-trimethylammonium; methyl sulfate IUPAC Name: [4-[(3-hydroxy-4-methylanilino)methyl]phenyl]-trimethylazanium; methyl sulfate Traditional Name: [4-[(3-hydroxy-4-methyl-anilino)methyl]phenyl]-trimethyl-ammonium; methyl sulfate Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)[N+](C)(C)C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)[N+](C)(C)C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H22N2O.CH4O4S/c1-13-5-8-15(11-17(13)20)18-12-14-6-9-16(10-7-14)19(2,3)4;1-5-6(2,3)4/h5-11,18H,12H2,1-4H3;1H3,(H,2,3,4)