6-chloranyl-3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=O)C

InChI

InChI=1S/C20H22ClN3O2/c1-14-4-3-5-17(15(14)2)23-10-8-22(9-11-23)13-24-18-7-6-16(21)12-19(18)26-20(24)25/h3-7,12H,8-11,13H2,1-2H3/p+1