dimethyl-[3-[[(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]azaniumyl]propyl]azanium Openeye Name: dimethyl-[3-[[(1R)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl]ammonio]propyl]ammonium CAS Name: dimethyl-[3-[[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]ammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azaniumyl]propyl]azanium Traditional Name: 3-[[(1R)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C20H29N3O2+2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH2+]CCC[NH+](C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C20H27N3O2/c1-16(21-14-7-15-23(2)3)20(24)22-17-10-12-19(13-11-17)25-18-8-5-4-6-9-18/h4-6,8-13,16,21H,7,14-15H2,1-3H3,(H,22,24)/p+2/t16-/m1/s1