[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H23N3O2/c1-4-12-26-20-10-8-17(9-11-20)15-24(3)16(2)21(25)23-19-7-5-6-18(13-19)14-22/h4-11,13,16H,1,12,15H2,2-3H3,(H,23,25)/p+1/t16-/m1/s1