4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(2-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(o-tolyl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolin-1-iumyl)-N-(2-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-1-ium-2-yl)-N-(2-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(o-tolyl)piperazine-1-carboxamide Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C24H25N5O2/c1-3-31-20-8-9-22-18(15-20)14-19(16-25)23(26-22)28-10-12-29(13-11-28)24(30)27-21-7-5-4-6-17(21)2/h4-9,14-15H,3,10-13H2,1-2H3,(H,27,30)/p+1