N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-(trifluoromethyl)benzamide Openeye Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-(trifluoromethyl)benzamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-(trifluoromethyl)benzamide Traditional Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-(trifluoromethyl)benzamide Formula: C21H27F3N3O2+ MolecularWeight: 410.45319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O2/c1-25-9-2-4-19(25)16-27(11-3-10-26-12-14-29-15-13-26)20(28)17-5-7-18(8-6-17)21(22,23)24/h2,4-9H,3,10-16H2,1H3/p+1