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

Systemtic Name: N-aminocarbonyl-4-[4-[6-methoxy-3-(oxidanylidenemethylidene)-7-(3-pyrrolidin-3-ylpropoxy)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium Openeye Name: N-carbamoyl-4-[4-[6-methoxy-3-(oxomethylene)-7-(3-pyrrolidin-3-ylpropoxy)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium CAS Name: N-carbamoyl-4-[4-[6-methoxy-3-(oxomethylidene)-7-[3-(3-pyrrolidinyl)propoxy]-8aH-quinolin-4-yl]-1-piperazinyl]benzonitrilium IUPAC Name: N-carbamoyl-4-[4-[6-methoxy-3-(oxomethylidene)-7-(3-pyrrolidin-3-ylpropoxy)-8aH-quinolin-4-yl]piperazin-1-yl]benzonitrilium Traditional Name: N-carbamoyl-4-[4-[3-(ketomethylene)-6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)-8aH-quinolin-4-yl]piperazino]benzonitrilium Formula: C30H35N6O4+ MolecularWeight: 543.6367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C=O)C=NC2C=C1OCCCC3CCNC3)N4CCN(CC4)C5=CC=C(C=C5)C#[N+]C(=O)N

Isomeric SMILES

COC1=CC2=C(C(=C=O)C=NC2C=C1OCCCC3CCNC3)N4CCN(CC4)C5=CC=C(C=C5)C#[N+]C(=O)N

InChI

InChI=1S/C30H34N6O4/c1-39-27-15-25-26(16-28(27)40-14-2-3-21-8-9-32-17-21)33-19-23(20-37)29(25)36-12-10-35(11-13-36)24-6-4-22(5-7-24)18-34-30(31)38/h4-7,15-16,19,21,26,32H,2-3,8-14,17H2,1H3,(H-,31,38)/p+1