N-[4-chloranyl-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxidanylidene-ethyl)amino]methyl]phenyl]benzamide chloride

Systemtic Name: N-[4-chloranyl-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxidanylidene-ethyl)amino]methyl]phenyl]benzamide chloride Openeye Name: N-[4-chloro-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxo-ethyl)amino]methyl]phenyl]benzamide chloride CAS Name: N-[4-chloro-2-[[methyl-[2-(4-morpholin-4-iumyl)-2-oxoethyl]amino]methyl]phenyl]benzamide chloride IUPAC Name: N-[4-chloro-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide chloride Traditional Name: N-[4-chloro-2-[[(2-keto-2-morpholin-4-ium-4-yl-ethyl)-methyl-amino]methyl]phenyl]benzamide chloride Formula: C21H25Cl2N3O3 MolecularWeight: 438.3475

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC=CC=C2)CC(=O)[NH+]3CCOCC3.[Cl-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC=CC=C2)CC(=O)[NH+]3CCOCC3.[Cl-]

InChI

InChI=1S/C21H24ClN3O3.ClH/c1-24(15-20(26)25-9-11-28-12-10-25)14-17-13-18(22)7-8-19(17)23-21(27)16-5-3-2-4-6-16;/h2-8,13H,9-12,14-15H2,1H3,(H,23,27);1H