3-[[3-(ethoxycarbonylamino)phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-(ethoxycarbonylamino)phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(ethoxycarbonylamino)benzoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(ethoxycarbonylamino)phenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(ethoxycarbonylamino)benzoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[3-(carbethoxyamino)benzoyl]amino]propyl]-methyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-3-27-21(26)23-19-12-7-11-18(15-19)20(25)22-13-8-14-24(2)16-17-9-5-4-6-10-17/h4-7,9-12,15H,3,8,13-14,16H2,1-2H3,(H,22,25)(H,23,26)/p+1