2-chloranyl-N-[(2R)-3-methyl-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2R)-3-methyl-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1R)-2-methyl-1-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2R)-3-methyl-1-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2R)-3-methyl-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1R)-2-methyl-1-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]propyl]-4-nitro-benzamide Formula: C22H27ClN5O5+ MolecularWeight: 476.93328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H26ClN5O5/c1-14(2)20(26-21(29)17-5-4-16(28(31)32)11-18(17)23)22(30)25-13-15-3-6-19(24-12-15)27-7-9-33-10-8-27/h3-6,11-12,14,20H,7-10,13H2,1-2H3,(H,25,30)(H,26,29)/p+1/t20-/m1/s1