[3-(dimethylcarbamoyl)-5-(pyridin-2-ylcarbonylamino)phenyl]methyl-(3-phenylpropyl)azanium

Systemtic Name: [3-(dimethylcarbamoyl)-5-(pyridin-2-ylcarbonylamino)phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: [3-(dimethylcarbamoyl)-5-(pyridine-2-carbonylamino)phenyl]methyl-(3-phenylpropyl)ammonium CAS Name: [3-[dimethylamino(oxo)methyl]-5-[[oxo(2-pyridinyl)methyl]amino]phenyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [3-(dimethylcarbamoyl)-5-(pyridine-2-carbonylamino)phenyl]methyl-(3-phenylpropyl)azanium Traditional Name: [3-(dimethylcarbamoyl)-5-picolinamido-benzyl]-(3-phenylpropyl)ammonium Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CC=N2)C[NH2+]CCCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CC=N2)C[NH2+]CCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O2/c1-29(2)25(31)21-15-20(18-26-13-8-11-19-9-4-3-5-10-19)16-22(17-21)28-24(30)23-12-6-7-14-27-23/h3-7,9-10,12,14-17,26H,8,11,13,18H2,1-2H3,(H,28,30)/p+1