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

Systemtic Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide Openeye Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide CAS Name: N-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]cyclobutanecarboxamide IUPAC Name: N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide Traditional Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3CCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3CCC3

InChI

InChI=1S/C19H22N4O2/c1-2-25-16-6-7-17-14(11-16)10-15(12-20)18(23-17)21-8-9-22-19(24)13-4-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,21,23)(H,22,24)/p+1