N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3,4-dimethylphenyl)cinchoninamide Formula: C26H32N3O+ MolecularWeight: 402.55178

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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+]4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCCCCC4)C

InChI

InChI=1S/C26H31N3O/c1-19-11-12-21(17-20(19)2)25-18-23(22-9-5-6-10-24(22)28-25)26(30)27-13-16-29-14-7-3-4-8-15-29/h5-6,9-12,17-18H,3-4,7-8,13-16H2,1-2H3,(H,27,30)/p+1