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

Systemtic Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide CAS Name: N-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide Traditional Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclohexanecarboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3CCCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3CCCCC3

InChI

InChI=1S/C21H26N4O2/c1-2-27-18-8-9-19-16(13-18)12-17(14-22)20(25-19)23-10-11-24-21(26)15-6-4-3-5-7-15/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,23,25)(H,24,26)/p+1