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

Systemtic Name: methyl-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]-[(2-morpholinophenyl)methyl]ammonium CAS Name: methyl-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-[[2-(4-morpholinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(2-methyl-3-nitro-anilino)ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-16-18(7-5-9-19(16)25(27)28)22-21(26)15-23(2)14-17-6-3-4-8-20(17)24-10-12-29-13-11-24/h3-9H,10-15H2,1-2H3,(H,22,26)/p+1