3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H25N3O2+2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H23N3O2/c1-16-6-2-3-7-17(16)14-21-10-12-22(13-11-21)15-23-18-8-4-5-9-19(18)25-20(23)24/h2-9H,10-15H2,1H3/p+2