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

Systemtic Name: [(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl]-methyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-5-13-26-19-11-9-17(10-12-19)15-23(3)16(2)21(24)22-18-7-6-8-20(14-18)25-4/h5-12,14,16H,1,13,15H2,2-4H3,(H,22,24)/p+1/t16-/m1/s1