3-[(4-chlorophenyl)methyl]-7-[(dimethylazaniumyl)methyl]-1,2-benzoxazol-6-olate

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-[(dimethylazaniumyl)methyl]-1,2-benzoxazol-6-olate Openeye Name: 3-[(4-chlorophenyl)methyl]-7-[(dimethylammonio)methyl]-1,2-benzoxazol-6-olate CAS Name: 3-[(4-chlorophenyl)methyl]-7-[(dimethylammonio)methyl]-1,2-benzoxazol-6-olate IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-[(dimethylazaniumyl)methyl]-1,2-benzoxazol-6-olate Traditional Name: 3-(4-chlorobenzyl)-7-[(dimethylammonio)methyl]indoxazen-6-olate Formula: C17H17ClN2O2 MolecularWeight: 316.78208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1ON=C2CC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1ON=C2CC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C17H17ClN2O2/c1-20(2)10-14-16(21)8-7-13-15(19-22-17(13)14)9-11-3-5-12(18)6-4-11/h3-8,21H,9-10H2,1-2H3