3-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: 3-[[2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C22H34N5O4+ MolecularWeight: 432.53646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)CC(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)CC(=O)N3CCOCC3

InChI

InChI=1S/C22H33N5O4/c23-20(28)6-7-27(16-19-4-2-1-3-5-19)22(30)18-25-10-8-24(9-11-25)17-21(29)26-12-14-31-15-13-26/h1-5H,6-18H2,(H2,23,28)/p+1