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

Systemtic Name: bis(2-methylpropyl)-[2-[(2-phenylazanylquinolin-4-yl)carbonylamino]ethyl]azanium Openeye Name: 2-[(2-anilinoquinoline-4-carbonyl)amino]ethyl-diisobutyl-ammonium CAS Name: 2-[[(2-anilino-4-quinolinyl)-oxomethyl]amino]ethyl-bis(2-methylpropyl)ammonium IUPAC Name: 2-[(2-anilinoquinoline-4-carbonyl)amino]ethyl-bis(2-methylpropyl)azanium Traditional Name: 2-[(2-anilinoquinoline-4-carbonyl)amino]ethyl-diisobutyl-ammonium Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O/c1-19(2)17-30(18-20(3)4)15-14-27-26(31)23-16-25(28-21-10-6-5-7-11-21)29-24-13-9-8-12-22(23)24/h5-13,16,19-20H,14-15,17-18H2,1-4H3,(H,27,31)(H,28,29)/p+1