[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-morpholin-4-ylphenyl)methyl]azanium

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-morpholin-4-ylphenyl)methyl]azanium Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-methyl-[(2-morpholinophenyl)methyl]ammonium CAS Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-[[2-(4-morpholinyl)phenyl]methyl]ammonium IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-[(2-morpholin-4-ylphenyl)methyl]azanium Traditional Name: [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCOCC3)Br

InChI

InChI=1S/C21H26BrN3O2/c1-16-13-18(7-8-19(16)22)23-21(26)15-24(2)14-17-5-3-4-6-20(17)25-9-11-27-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1