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

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-[(4-allyloxyphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-(4-allyloxybenzyl)-methyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-5-14-27-21-12-6-18(7-13-21)15-24(4)16(2)22(26)23-20-10-8-19(9-11-20)17(3)25/h5-13,16H,1,14-15H2,2-4H3,(H,23,26)/p+1/t16-/m1/s1