N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-N-phenyl-benzamide bromide

Systemtic Name: N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-N-phenyl-benzamide bromide Openeye Name: N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-N-phenyl-benzamide bromide CAS Name: N-[2-(4-methyl-4-morpholin-4-iumyl)ethyl]-4-nitro-N-phenylbenzamide bromide IUPAC Name: N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-N-phenylbenzamide bromide Traditional Name: N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-N-phenyl-benzamide bromide Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1(CCOCC1)CCN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H24N3O4.BrH/c1-23(13-15-27-16-14-23)12-11-21(18-5-3-2-4-6-18)20(24)17-7-9-19(10-8-17)22(25)26;/h2-10H,11-16H2,1H3;1H/q+1;/p-1