N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2S)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2S)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2S)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2S)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2S)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-(benzofurazan-5-ylmethyl)-2-[(2S)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NON=C2C=C1)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC2=NON=C2C=C1)C(=O)C[C@H]3C(=O)NCC[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3/c1-25(13-16-7-8-17-18(11-16)24-29-23-17)20(27)12-19-21(28)22-9-10-26(19)14-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-14H2,1H3,(H,22,28)/p+1/t19-/m0/s1