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

Systemtic Name: N-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide Openeye Name: N-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide CAS Name: N-[2-[(3-cyano-6-methoxy-2-quinolin-1-iumyl)amino]ethyl]cyclobutanecarboxamide IUPAC Name: N-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide Traditional Name: N-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3CCC3

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C3CCC3

InChI

InChI=1S/C18H20N4O2/c1-24-15-5-6-16-13(10-15)9-14(11-19)17(22-16)20-7-8-21-18(23)12-3-2-4-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,22)(H,21,23)/p+1