[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]-[(4-allyloxyphenyl)methyl]-methyl-ammonium CAS Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]-(4-allyloxybenzyl)-methyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C22H27N3O4/c1-5-12-29-19-9-6-17(7-10-19)14-25(3)15-22(27)24-20-13-18(23-16(2)26)8-11-21(20)28-4/h5-11,13H,1,12,14-15H2,2-4H3,(H,23,26)(H,24,27)/p+1