[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C23H33N3O3+2 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH2+]CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CCC[NH+]3CCOCC3

InChI

InChI=1S/C23H31N3O3/c1-18-9-10-21(28-2)20(17-18)25-23(27)22(19-7-4-3-5-8-19)24-11-6-12-26-13-15-29-16-14-26/h3-5,7-10,17,22,24H,6,11-16H2,1-2H3,(H,25,27)/p+2/t22-/m0/s1