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

Systemtic Name: [2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C22H26N2O4/c1-5-12-28-19-10-7-17(8-11-19)14-24(3)15-21(25)23-20-13-18(22(26)27-4)9-6-16(20)2/h5-11,13H,1,12,14-15H2,2-4H3,(H,23,25)/p+1