[2-azanyl-3-[2-(2,2-dimethylpropylamino)-2-oxidanylidene-ethyl]-4H-quinazolin-8-yl]oxy-butanoyl-cyclohexyl-hexyl-azanium

Systemtic Name: [2-azanyl-3-[2-(2,2-dimethylpropylamino)-2-oxidanylidene-ethyl]-4H-quinazolin-8-yl]oxy-butanoyl-cyclohexyl-hexyl-azanium Openeye Name: [2-amino-3-[2-(2,2-dimethylpropylamino)-2-oxo-ethyl]-4H-quinazolin-8-yl]oxy-butanoyl-cyclohexyl-hexyl-ammonium CAS Name: [2-amino-3-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-4H-quinazolin-8-yl]oxy-cyclohexyl-hexyl-(1-oxobutyl)ammonium IUPAC Name: [2-amino-3-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-4H-quinazolin-8-yl]oxy-butanoyl-cyclohexyl-hexylazanium Traditional Name: [2-amino-3-[2-keto-2-(neopentylamino)ethyl]-4H-quinazolin-8-yl]oxy-butyryl-cyclohexyl-hexyl-ammonium Formula: C31H52N5O3+ MolecularWeight: 542.77628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C1CCCCC1)(C(=O)CCC)OC2=CC=CC3=C2N=C(N(C3)CC(=O)NCC(C)(C)C)N

Isomeric SMILES

CCCCCC[N+](C1CCCCC1)(C(=O)CCC)OC2=CC=CC3=C2N=C(N(C3)CC(=O)NCC(C)(C)C)N

InChI

InChI=1S/C31H51N5O3/c1-6-8-9-13-20-36(28(38)15-7-2,25-17-11-10-12-18-25)39-26-19-14-16-24-21-35(30(32)34-29(24)26)22-27(37)33-23-31(3,4)5/h14,16,19,25H,6-13,15,17-18,20-23H2,1-5H3,(H2-,32,33,34,37)/p+1