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

Systemtic Name: methyl-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: methyl-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H26N2O2/c1-4-14-25-20-12-10-19(11-13-20)16-23(3)17(2)21(24)22-15-18-8-6-5-7-9-18/h4-13,17H,1,14-16H2,2-3H3,(H,22,24)/p+1/t17-/m1/s1