4-bromanyl-N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]benzamide Openeye Name: 4-bromo-N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]benzamide CAS Name: 4-bromo-N-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]benzamide IUPAC Name: 4-bromo-N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]benzamide Traditional Name: 4-bromo-N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]benzamide Formula: C21H20BrN4O2+ MolecularWeight: 440.3131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN4O2/c1-2-28-18-7-8-19-15(12-18)11-16(13-23)20(26-19)24-9-10-25-21(27)14-3-5-17(22)6-4-14/h3-8,11-12H,2,9-10H2,1H3,(H,24,26)(H,25,27)/p+1