dimethyl-[3-[2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]ethanoylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]ethanoylamino]propyl]azanium Openeye Name: dimethyl-[3-[[2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]acetyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[1-oxo-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]ethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]acetyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[2-[(3-phenylanthranil-5-carbonyl)amino]acetyl]amino]propyl]ammonium Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CNC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC(=O)CNC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c1-25(2)12-6-11-22-19(26)14-23-21(27)16-9-10-18-17(13-16)20(28-24-18)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,26)(H,23,27)/p+1