[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H29N3O3+2 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O3/c1-26-19-9-5-8-18(16-19)23-21(25)20(17-6-3-2-4-7-17)22-10-11-24-12-14-27-15-13-24/h2-9,16,20,22H,10-15H2,1H3,(H,23,25)/p+2/t20-/m0/s1