[2-azanyl-3-(2-cyclopentyloxy-2-oxidanylidene-ethyl)-4H-quinazolin-6-yl]oxy-butanoyl-butyl-cyclohexyl-azanium

Systemtic Name: [2-azanyl-3-(2-cyclopentyloxy-2-oxidanylidene-ethyl)-4H-quinazolin-6-yl]oxy-butanoyl-butyl-cyclohexyl-azanium Openeye Name: [2-amino-3-[2-(cyclopentoxy)-2-oxo-ethyl]-4H-quinazolin-6-yl]oxy-butanoyl-butyl-cyclohexyl-ammonium CAS Name: [2-amino-3-(2-cyclopentyloxy-2-oxoethyl)-4H-quinazolin-6-yl]oxy-butyl-cyclohexyl-(1-oxobutyl)ammonium IUPAC Name: [2-amino-3-(2-cyclopentyloxy-2-oxoethyl)-4H-quinazolin-6-yl]oxy-butanoyl-butyl-cyclohexylazanium Traditional Name: [2-amino-3-[2-(cyclopentoxy)-2-keto-ethyl]-4H-quinazolin-6-yl]oxy-butyl-butyryl-cyclohexyl-ammonium Formula: C29H45N4O4+ MolecularWeight: 513.692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C1CCCCC1)(C(=O)CCC)OC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4CCCC4)N

Isomeric SMILES

CCCC[N+](C1CCCCC1)(C(=O)CCC)OC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4CCCC4)N

InChI

InChI=1S/C29H45N4O4/c1-3-5-18-33(27(34)11-4-2,23-12-7-6-8-13-23)37-25-16-17-26-22(19-25)20-32(29(30)31-26)21-28(35)36-24-14-9-10-15-24/h16-17,19,23-24H,3-15,18,20-21H2,1-2H3,(H2,30,31)/q+1