bis[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: bis[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: bis[2-(4-acetylanilino)-2-oxo-ethyl]-benzyl-ammonium CAS Name: bis[2-(4-acetylanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: bis[2-(4-acetylanilino)-2-oxoethyl]-benzylazanium Traditional Name: bis[2-(4-acetylanilino)-2-keto-ethyl]-benzyl-ammonium Formula: C27H28N3O4+ MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C27H27N3O4/c1-19(31)22-8-12-24(13-9-22)28-26(33)17-30(16-21-6-4-3-5-7-21)18-27(34)29-25-14-10-23(11-15-25)20(2)32/h3-15H,16-18H2,1-2H3,(H,28,33)(H,29,34)/p+1