(2,4-dimethoxyphenyl)methyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]azanium

Systemtic Name: (2,4-dimethoxyphenyl)methyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]azanium Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl]-[(2,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (2,4-dimethoxyphenyl)methyl-methyl-[3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl]ammonium IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [3-(benzylcarbamoylamino)-3-keto-propyl]-(2,4-dimethoxybenzyl)-methyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC(=O)NCC1=CC=CC=C1)CC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](CCC(=O)NC(=O)NCC1=CC=CC=C1)CC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O4/c1-24(15-17-9-10-18(27-2)13-19(17)28-3)12-11-20(25)23-21(26)22-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14-15H2,1-3H3,(H2,22,23,25,26)/p+1