methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]-methyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-4-14-27-18-12-10-16(11-13-18)15-24(3)19(17-8-6-5-7-9-17)20(25)23-21(26)22-2/h4-13,19H,1,14-15H2,2-3H3,(H2,22,23,25,26)/p+1/t19-/m0/s1