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

Systemtic Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]-1,3-benzoxazol-2-one Formula: C20H25N3O3+2 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H23N3O3/c1-25-17-8-6-16(7-9-17)14-21-10-12-22(13-11-21)15-23-18-4-2-3-5-19(18)26-20(23)24/h2-9H,10-15H2,1H3/p+2