7-chloranyl-2-[[ethyl-[(2-oxidanylnaphthalen-1-yl)methyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[ethyl-[(2-oxidanylnaphthalen-1-yl)methyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[ethyl-[(2-hydroxy-1-naphthyl)methyl]ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[ethyl-[(2-hydroxy-1-naphthalenyl)methyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[ethyl-[(2-hydroxynaphthalen-1-yl)methyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[ethyl-[(2-hydroxy-1-naphthyl)methyl]ammonio]methyl]quinazolin-4-olate Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC2=CC=CC=C21)O)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

CC[NH+](CC1=C(C=CC2=CC=CC=C21)O)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C22H20ClN3O2/c1-2-26(12-18-16-6-4-3-5-14(16)7-10-20(18)27)13-21-24-19-11-15(23)8-9-17(19)22(28)25-21/h3-11,27H,2,12-13H2,1H3,(H,24,25,28)