4-(3-cyano-7-methoxy-quinolin-2-yl)-4-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(3-cyano-7-methoxy-quinolin-2-yl)-4-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(3-cyano-7-methoxy-2-quinolyl)-4-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(3-cyano-7-methoxy-2-quinolinyl)-4-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(3-cyano-7-methoxyquinolin-2-yl)-4-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(3-cyano-7-methoxy-2-quinolyl)-4-phenyl-piperazin-4-ium-1-carboxamide Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)[N+]3(CCN(CC3)C(=O)N)C4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)[N+]3(CCN(CC3)C(=O)N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H21N5O2/c1-29-19-8-7-16-13-17(15-23)21(25-20(16)14-19)27(18-5-3-2-4-6-18)11-9-26(10-12-27)22(24)28/h2-8,13-14H,9-12H2,1H3,(H-,24,28)/p+1