3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H20ClN3O2/c1-14-6-7-15(20)12-17(14)22-10-8-21(9-11-22)13-23-16-4-2-3-5-18(16)25-19(23)24/h2-7,12H,8-11,13H2,1H3/p+1