(2R)-N-(4-tert-butylphenyl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-tert-butylphenyl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-tert-butylphenyl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-tert-butylphenyl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-tert-butylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-tert-butylphenyl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]propionamide Formula: C23H37N4O3+ MolecularWeight: 417.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)[NH+]2CCN(CC2)CC(=O)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)[NH+]2CCN(CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C23H36N4O3/c1-18(22(29)24-20-7-5-19(6-8-20)23(2,3)4)26-11-9-25(10-12-26)17-21(28)27-13-15-30-16-14-27/h5-8,18H,9-17H2,1-4H3,(H,24,29)/p+1/t18-/m1/s1