3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide

Systemtic Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide Openeye Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide CAS Name: 3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitrobenzamide Traditional Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C14H19N3O4/c1-11-3-2-4-12(13(11)17(19)20)14(18)15-5-6-16-7-9-21-10-8-16/h2-4H,5-10H2,1H3,(H,15,18)/p+1