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

Systemtic Name: 2-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]ethyl-bis(2-methylpropyl)azanium Openeye Name: 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]ethyl-diisobutyl-ammonium CAS Name: 2-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]ethyl-bis(2-methylpropyl)ammonium IUPAC Name: 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]ethyl-bis(2-methylpropyl)azanium Traditional Name: diisobutyl-[2-[(2-p-phenetylquinoline-4-carbonyl)amino]ethyl]ammonium Formula: C28H38N3O2+ MolecularWeight: 448.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+](CC(C)C)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+](CC(C)C)CC(C)C

InChI

InChI=1S/C28H37N3O2/c1-6-33-23-13-11-22(12-14-23)27-17-25(24-9-7-8-10-26(24)30-27)28(32)29-15-16-31(18-20(2)3)19-21(4)5/h7-14,17,20-21H,6,15-16,18-19H2,1-5H3,(H,29,32)/p+1