bis(2-methylpropyl)-[2-[(2-pyridin-1-ium-3-ylquinolin-4-yl)carbonylamino]ethyl]azanium

Systemtic Name: bis(2-methylpropyl)-[2-[(2-pyridin-1-ium-3-ylquinolin-4-yl)carbonylamino]ethyl]azanium Openeye Name: diisobutyl-[2-[(2-pyridin-1-ium-3-ylquinoline-4-carbonyl)amino]ethyl]ammonium CAS Name: bis(2-methylpropyl)-[2-[[oxo-[2-(3-pyridin-1-iumyl)-4-quinolinyl]methyl]amino]ethyl]ammonium IUPAC Name: bis(2-methylpropyl)-[2-[(2-pyridin-1-ium-3-ylquinoline-4-carbonyl)amino]ethyl]azanium Traditional Name: diisobutyl-[2-[(2-pyridin-1-ium-3-ylquinoline-4-carbonyl)amino]ethyl]ammonium Formula: C25H34N4O+2 MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C[NH+]=CC=C3)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C[NH+]=CC=C3)CC(C)C

InChI

InChI=1S/C25H32N4O/c1-18(2)16-29(17-19(3)4)13-12-27-25(30)22-14-24(20-8-7-11-26-15-20)28-23-10-6-5-9-21(22)23/h5-11,14-15,18-19H,12-13,16-17H2,1-4H3,(H,27,30)/p+2