[2-azanyl-3-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4H-quinazolin-8-yl]oxy-cyclohexyl-octanoyl-oxidanyl-azanium

Systemtic Name: [2-azanyl-3-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4H-quinazolin-8-yl]oxy-cyclohexyl-octanoyl-oxidanyl-azanium Openeye Name: [2-amino-3-[2-(tert-butylamino)-2-oxo-ethyl]-4H-quinazolin-8-yl]oxy-cyclohexyl-hydroxy-octanoyl-ammonium CAS Name: [2-amino-3-[2-(tert-butylamino)-2-oxoethyl]-4H-quinazolin-8-yl]oxy-cyclohexyl-hydroxy-(1-oxooctyl)ammonium IUPAC Name: [2-amino-3-[2-(tert-butylamino)-2-oxoethyl]-4H-quinazolin-8-yl]oxy-cyclohexyl-hydroxy-octanoylazanium Traditional Name: [2-amino-3-[2-(tert-butylamino)-2-keto-ethyl]-4H-quinazolin-8-yl]oxy-caprylyl-cyclohexyl-hydroxy-ammonium Formula: C28H46N5O4+ MolecularWeight: 516.69594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC=CC3=C2N=C(N(C3)CC(=O)NC(C)(C)C)N

Isomeric SMILES

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC=CC3=C2N=C(N(C3)CC(=O)NC(C)(C)C)N

InChI

InChI=1S/C28H45N5O4/c1-5-6-7-8-12-18-25(35)33(36,22-15-10-9-11-16-22)37-23-17-13-14-21-19-32(27(29)30-26(21)23)20-24(34)31-28(2,3)4/h13-14,17,22,36H,5-12,15-16,18-20H2,1-4H3,(H2-,29,30,31,34)/p+1