[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl-methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)azanium

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl-methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)azanium Openeye Name: [4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl-methyl-(2-morpholino-2-oxo-ethyl)ammonium CAS Name: [4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl-methyl-[2-(4-morpholinyl)-2-oxoethyl]ammonium IUPAC Name: [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium Traditional Name: [4-[(4-chloro-3-methyl-phenyl)carbamoyl]benzyl]-(2-keto-2-morpholino-ethyl)-methyl-ammonium Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+](C)CC(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+](C)CC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-16-13-19(7-8-20(16)23)24-22(28)18-5-3-17(4-6-18)14-25(2)15-21(27)26-9-11-29-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)/p+1