2-(2-methoxyethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-5-nitro-benzamide

Systemtic Name: 2-(2-methoxyethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-5-nitro-benzamide Openeye Name: 2-(2-methoxyethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-5-nitro-benzamide CAS Name: 2-(2-methoxyethylamino)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-5-nitrobenzamide IUPAC Name: 2-(2-methoxyethylamino)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-5-nitrobenzamide Traditional Name: 2-(2-methoxyethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-5-nitro-benzamide Formula: C18H29N4O5+ MolecularWeight: 381.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCOC)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCOC)[NH+]2CCOCC2

InChI

InChI=1S/C18H28N4O5/c1-18(2,21-7-10-27-11-8-21)13-20-17(23)15-12-14(22(24)25)4-5-16(15)19-6-9-26-3/h4-5,12,19H,6-11,13H2,1-3H3,(H,20,23)/p+1