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

Systemtic Name: methyl-(phenylmethyl)-[3-[(2-pyridin-1-ium-4-ylquinolin-4-yl)carbonylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[(2-pyridin-1-ium-4-ylquinoline-4-carbonyl)amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[2-(4-pyridin-1-iumyl)-4-quinolinyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(2-pyridin-1-ium-4-ylquinoline-4-carbonyl)amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[(2-pyridin-1-ium-4-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=CC=[NH+]C=C3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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