N-(1,3-benzoxazol-2-ylmethyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzoxazol-2-ylmethyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzoxazol-2-ylmethyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzoxazol-2-ylmethyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1,3-benzoxazol-2-ylmethyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-(1,3-benzoxazol-2-ylmethyl)-2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2O1)C(=O)CC3C(=O)NCC[NH+]3CC4=CC(=CC=C4)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2O1)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4O4/c1-26(15-21-25-18-8-3-4-9-20(18)31-21)22(28)13-19-23(29)24-10-11-27(19)14-16-6-5-7-17(12-16)30-2/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,29)/p+1/t19-/m1/s1