2-[[[(E)-but-2-enyl]-ethyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[[[(E)-but-2-enyl]-ethyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[[(E)-but-2-enyl]-ethyl-ammonio]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[[(E)-but-2-enyl]-ethylammonio]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[[(E)-but-2-enyl]-ethylazaniumyl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[[(E)-but-2-enyl]-ethyl-ammonio]methyl]-7-chloro-quinazolin-4-olate Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O/c1-3-5-8-19(4-2)10-14-17-13-9-11(16)6-7-12(13)15(20)18-14/h3,5-7,9H,4,8,10H2,1-2H3,(H,17,18,20)/b5-3+