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

Systemtic Name: N-aminocarbonyl-4-[4-[6-methoxy-3-(oxidanylidenemethylidene)-7-(3-piperidin-3-ylpropoxy)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium Openeye Name: N-carbamoyl-4-[4-[6-methoxy-3-(oxomethylene)-7-[3-(3-piperidyl)propoxy]-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium CAS Name: N-carbamoyl-4-[4-[6-methoxy-3-(oxomethylidene)-7-[3-(3-piperidinyl)propoxy]-8aH-quinolin-4-yl]-1-piperazinyl]benzonitrilium IUPAC Name: N-carbamoyl-4-[4-[6-methoxy-3-(oxomethylidene)-7-(3-piperidin-3-ylpropoxy)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium Traditional Name: N-carbamoyl-4-[4-[3-(ketomethylene)-6-methoxy-7-[3-(3-piperidyl)propoxy]-8aH-quinolin-4-yl]piperazino]benzonitrilium Formula: C31H37N6O4+ MolecularWeight: 557.66328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C=O)C=NC2C=C1OCCCC3CCCNC3)N4CCN(CC4)C5=CC=C(C=C5)C#[N+]C(=O)N

Isomeric SMILES

COC1=CC2=C(C(=C=O)C=NC2C=C1OCCCC3CCCNC3)N4CCN(CC4)C5=CC=C(C=C5)C#[N+]C(=O)N

InChI

InChI=1S/C31H36N6O4/c1-40-28-16-26-27(17-29(28)41-15-3-5-22-4-2-10-33-18-22)34-20-24(21-38)30(26)37-13-11-36(12-14-37)25-8-6-23(7-9-25)19-35-31(32)39/h6-9,16-17,20,22,27,33H,2-5,10-15,18H2,1H3,(H-,32,39)/p+1