(E)-4-[4-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)-1,4-diazepan-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[4-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)-1,4-diazepan-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[4-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)-1,4-diazepan-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(3-cyano-7-methoxy-2-quinolin-1-iumyl)-1,4-diazepan-1-yl]-4-oxo-2-butenoate IUPAC Name: (E)-4-[4-(3-cyano-7-methoxyquinolin-1-ium-2-yl)-1,4-diazepan-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)-1,4-diazepan-1-yl]-4-keto-but-2-enoate Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)C=CC(=O)[O-])C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)/C=C/C(=O)[O-])C#N

InChI

InChI=1S/C20H20N4O4/c1-28-16-4-3-14-11-15(13-21)20(22-17(14)12-16)24-8-2-7-23(9-10-24)18(25)5-6-19(26)27/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/b6-5+