(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl]-methyl-veratryl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(2)14-15-11-12-17(27-3)18(13-15)28-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/p+1/t19-/m0/s1