bis(2-methylpropyl)-[3-[(2-phenylazanylquinolin-4-yl)carbonylamino]propyl]azanium

Systemtic Name: bis(2-methylpropyl)-[3-[(2-phenylazanylquinolin-4-yl)carbonylamino]propyl]azanium Openeye Name: 3-[(2-anilinoquinoline-4-carbonyl)amino]propyl-diisobutyl-ammonium CAS Name: 3-[[(2-anilino-4-quinolinyl)-oxomethyl]amino]propyl-bis(2-methylpropyl)ammonium IUPAC Name: 3-[(2-anilinoquinoline-4-carbonyl)amino]propyl-bis(2-methylpropyl)azanium Traditional Name: 3-[(2-anilinoquinoline-4-carbonyl)amino]propyl-diisobutyl-ammonium Formula: C27H37N4O+ MolecularWeight: 433.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C27H36N4O/c1-20(2)18-31(19-21(3)4)16-10-15-28-27(32)24-17-26(29-22-11-6-5-7-12-22)30-25-14-9-8-13-23(24)25/h5-9,11-14,17,20-21H,10,15-16,18-19H2,1-4H3,(H,28,32)(H,29,30)/p+1