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

Systemtic Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]pyrazine-2-carboxamide Openeye Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]pyrazine-2-carboxamide CAS Name: N-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]pyrazine-2-carboxamide Traditional Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]pyrazinamide Formula: C19H19N6O2+ MolecularWeight: 363.39316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O2/c1-2-27-15-3-4-16-13(10-15)9-14(11-20)18(25-16)23-7-8-24-19(26)17-12-21-5-6-22-17/h3-6,9-10,12H,2,7-8H2,1H3,(H,23,25)(H,24,26)/p+1