2-[[(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azaniumyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[(1R)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl]ammonio]ethyl-diethyl-ammonium CAS Name: 2-[[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]ammonio]ethyl-diethylammonium IUPAC Name: 2-[[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]azaniumyl]ethyl-diethylazanium Traditional Name: 2-[[(1R)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl]ammonio]ethyl-diethyl-ammonium Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]C(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC[NH+](CC)CC[NH2+][C@H](C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C22H29N3O2/c1-4-25(5-2)15-14-23-21(18-10-7-6-8-11-18)22(27)24-20-13-9-12-19(16-20)17(3)26/h6-13,16,21,23H,4-5,14-15H2,1-3H3,(H,24,27)/p+2/t21-/m1/s1