7-chloranyl-2-[[[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-propyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-propyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-propyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-propylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-propylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-propyl-ammonio]methyl]quinazolin-4-olate Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(COC3=CC=C(C=C3)CC)O

Isomeric SMILES

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])C[C@@H](COC3=CC=C(C=C3)CC)O

InChI

InChI=1S/C23H28ClN3O3/c1-3-11-27(13-18(28)15-30-19-8-5-16(4-2)6-9-19)14-22-25-21-12-17(24)7-10-20(21)23(29)26-22/h5-10,12,18,28H,3-4,11,13-15H2,1-2H3,(H,25,26,29)/t18-/m0/s1