[2-azanyl-3-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-4H-quinazolin-6-yl]oxy-cyclohexyl-octanoyl-oxidanyl-azanium

Systemtic Name: [2-azanyl-3-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-4H-quinazolin-6-yl]oxy-cyclohexyl-octanoyl-oxidanyl-azanium Openeye Name: [2-amino-3-[2-(isopropylamino)-2-oxo-ethyl]-4H-quinazolin-6-yl]oxy-cyclohexyl-hydroxy-octanoyl-ammonium CAS Name: [2-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinazolin-6-yl]oxy-cyclohexyl-hydroxy-(1-oxooctyl)ammonium IUPAC Name: [2-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinazolin-6-yl]oxy-cyclohexyl-hydroxy-octanoylazanium Traditional Name: [2-amino-3-[2-(isopropylamino)-2-keto-ethyl]-4H-quinazolin-6-yl]oxy-caprylyl-cyclohexyl-hydroxy-ammonium Formula: C27H44N5O4+ MolecularWeight: 502.66936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC3=C(C=C2)N=C(N(C3)CC(=O)NC(C)C)N

Isomeric SMILES

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC3=C(C=C2)N=C(N(C3)CC(=O)NC(C)C)N

InChI

InChI=1S/C27H43N5O4/c1-4-5-6-7-11-14-26(34)32(35,22-12-9-8-10-13-22)36-23-15-16-24-21(17-23)18-31(27(28)30-24)19-25(33)29-20(2)3/h15-17,20,22,35H,4-14,18-19H2,1-3H3,(H2-,28,29,30,33)/p+1