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

Systemtic Name: N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-N-(phenylmethyl)benzamide bromide Openeye Name: N-benzyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-benzamide bromide CAS Name: N-[2-(4-methyl-4-morpholin-4-iumyl)ethyl]-4-nitro-N-(phenylmethyl)benzamide bromide IUPAC Name: N-benzyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitrobenzamide bromide Traditional Name: N-benzyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-benzamide bromide Formula: C21H26BrN3O4 MolecularWeight: 464.35284

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1(CCOCC1)CCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H26N3O4.BrH/c1-24(13-15-28-16-14-24)12-11-22(17-18-5-3-2-4-6-18)21(25)19-7-9-20(10-8-19)23(26)27;/h2-10H,11-17H2,1H3;1H/q+1;/p-1