methyl-[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[(1R)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]ammonium CAS Name: methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1R)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]-methyl-ammonium Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C26H28N2O2/c1-4-18-30-23-16-14-21(15-17-23)19-28(3)20(2)26(29)27-25-13-9-8-12-24(25)22-10-6-5-7-11-22/h4-17,20H,1,18-19H2,2-3H3,(H,27,29)/p+1/t20-/m1/s1