2-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl]-methyl-ammonium Formula: C28H30N3O+ MolecularWeight: 424.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+](C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+](C)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O/c1-20-13-14-23(17-21(20)2)27-18-25(24-11-7-8-12-26(24)30-27)28(32)29-15-16-31(3)19-22-9-5-4-6-10-22/h4-14,17-18H,15-16,19H2,1-3H3,(H,29,32)/p+1