3-(1,3-benzoxazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzoxazol-2-yl)-1-(4-p-anisylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O3/c1-27-18-8-6-17(7-9-18)16-24-12-14-25(15-13-24)22(26)11-10-21-23-19-4-2-3-5-20(19)28-21/h2-9H,10-16H2,1H3/p+1