azanyl-cyclohexyl-[3-(1,2-dihydroquinazolin-6-yloxy)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]octanoyl]-oxidanyl-azanium

Systemtic Name: azanyl-cyclohexyl-[3-(1,2-dihydroquinazolin-6-yloxy)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]octanoyl]-oxidanyl-azanium Openeye Name: amino-cyclohexyl-[3-(1,2-dihydroquinazolin-6-yloxy)-4-[2-(isopropylamino)-2-oxo-ethyl]octanoyl]-hydroxy-ammonium CAS Name: amino-cyclohexyl-[3-(1,2-dihydroquinazolin-6-yloxy)-1-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]octyl]-hydroxyammonium IUPAC Name: amino-cyclohexyl-[3-(1,2-dihydroquinazolin-6-yloxy)-4-[2-oxo-2-(propan-2-ylamino)ethyl]octanoyl]-hydroxyazanium Traditional Name: amino-cyclohexyl-[3-(1,2-dihydroquinazolin-6-yloxy)-4-[2-(isopropylamino)-2-keto-ethyl]octanoyl]-hydroxy-ammonium Formula: C27H44N5O4+ MolecularWeight: 502.66936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5O4/c1-4-5-9-20(15-26(33)31-19(2)3)25(16-27(34)32(28,35)22-10-7-6-8-11-22)36-23-12-13-24-21(14-23)17-29-18-30-24/h12-14,17,19-20,22,25,35H,4-11,15-16,18,28H2,1-3H3,(H-,29,30,31,33)/p+1