N-aminocarbonyl-4-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)-3-(oxidanylidenemethylidene)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium

Systemtic Name: N-aminocarbonyl-4-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)-3-(oxidanylidenemethylidene)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium Openeye Name: N-carbamoyl-4-[4-[6-methoxy-7-(3-morpholinopropoxy)-3-(oxomethylene)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium CAS Name: N-carbamoyl-4-[4-[6-methoxy-7-[3-(4-morpholinyl)propoxy]-3-(oxomethylidene)-8aH-quinolin-4-yl]-1-piperazinyl]benzonitrilium IUPAC Name: N-carbamoyl-4-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)-3-(oxomethylidene)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium Traditional Name: N-carbamoyl-4-[4-[3-(ketomethylene)-6-methoxy-7-(3-morpholinopropoxy)-8aH-quinolin-4-yl]piperazino]benzonitrilium Formula: C30H35N6O5+ MolecularWeight: 559.6361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C=O)C=NC2C=C1OCCCN3CCOCC3)N4CCN(CC4)C5=CC=C(C=C5)C#[N+]C(=O)N

Isomeric SMILES

COC1=CC2=C(C(=C=O)C=NC2C=C1OCCCN3CCOCC3)N4CCN(CC4)C5=CC=C(C=C5)C#[N+]C(=O)N

InChI

InChI=1S/C30H34N6O5/c1-39-27-17-25-26(18-28(27)41-14-2-7-34-12-15-40-16-13-34)32-20-23(21-37)29(25)36-10-8-35(9-11-36)24-5-3-22(4-6-24)19-33-30(31)38/h3-6,17-18,20,26H,2,7-16H2,1H3,(H-,31,38)/p+1