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

Systemtic Name: [2-azanyl-3-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-4H-quinazolin-6-yl]oxy-butanoyl-cyclohexyl-hexyl-azanium Openeye Name: [2-amino-3-[2-(cyclohexylmethylamino)-2-oxo-ethyl]-4H-quinazolin-6-yl]oxy-butanoyl-cyclohexyl-hexyl-ammonium CAS Name: [2-amino-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4H-quinazolin-6-yl]oxy-cyclohexyl-hexyl-(1-oxobutyl)ammonium IUPAC Name: [2-amino-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4H-quinazolin-6-yl]oxy-butanoyl-cyclohexyl-hexylazanium Traditional Name: [2-amino-3-[2-(cyclohexylmethylamino)-2-keto-ethyl]-4H-quinazolin-6-yl]oxy-butyryl-cyclohexyl-hexyl-ammonium Formula: C33H54N5O3+ MolecularWeight: 568.81356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C1CCCCC1)(C(=O)CCC)OC2=CC3=C(C=C2)N=C(N(C3)CC(=O)NCC4CCCCC4)N

Isomeric SMILES

CCCCCC[N+](C1CCCCC1)(C(=O)CCC)OC2=CC3=C(C=C2)N=C(N(C3)CC(=O)NCC4CCCCC4)N

InChI

InChI=1S/C33H53N5O3/c1-3-5-6-13-21-38(32(40)14-4-2,28-17-11-8-12-18-28)41-29-19-20-30-27(22-29)24-37(33(34)36-30)25-31(39)35-23-26-15-9-7-10-16-26/h19-20,22,26,28H,3-18,21,23-25H2,1-2H3,(H2-,34,35,36,39)/p+1