2-bromanyl-N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-[(4-methylmorpholin-4-ium-4-yl)methyl]benzamide

Systemtic Name: 2-bromanyl-N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-[(4-methylmorpholin-4-ium-4-yl)methyl]benzamide Openeye Name: 2-bromo-N-[5-(cyanomethylamino)-3-methyl-5-oxo-pentyl]-4-[(4-methylmorpholin-4-ium-4-yl)methyl]benzamide CAS Name: 2-bromo-N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[(4-methyl-4-morpholin-4-iumyl)methyl]benzamide IUPAC Name: 2-bromo-N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[(4-methylmorpholin-4-ium-4-yl)methyl]benzamide Traditional Name: 2-bromo-N-[5-(cyanomethylamino)-5-keto-3-methyl-pentyl]-4-[(4-methylmorpholin-4-ium-4-yl)methyl]benzamide Formula: C21H30BrN4O3+ MolecularWeight: 466.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=C(C=C(C=C1)C[N+]2(CCOCC2)C)Br)CC(=O)NCC#N

Isomeric SMILES

CC(CCNC(=O)C1=C(C=C(C=C1)C[N+]2(CCOCC2)C)Br)CC(=O)NCC#N

InChI

InChI=1S/C21H29BrN4O3/c1-16(13-20(27)24-8-6-23)5-7-25-21(28)18-4-3-17(14-19(18)22)15-26(2)9-11-29-12-10-26/h3-4,14,16H,5,7-13,15H2,1-2H3,(H-,24,25,27,28)/p+1