methyl-(phenylmethyl)-[3-[(2-pyridin-1-ium-3-ylquinolin-4-yl)carbonylamino]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[(2-pyridin-1-ium-3-ylquinolin-4-yl)carbonylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[(2-pyridin-1-ium-3-ylquinoline-4-carbonyl)amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[2-(3-pyridin-1-iumyl)-4-quinolinyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(2-pyridin-1-ium-3-ylquinoline-4-carbonyl)amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[(2-pyridin-1-ium-3-ylquinoline-4-carbonyl)amino]propyl]ammonium Formula: C26H28N4O+2 MolecularWeight: 412.52672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C[NH+]=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C[NH+]=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O/c1-30(19-20-9-3-2-4-10-20)16-8-15-28-26(31)23-17-25(21-11-7-14-27-18-21)29-24-13-6-5-12-22(23)24/h2-7,9-14,17-18H,8,15-16,19H2,1H3,(H,28,31)/p+2