diethyl-[4-oxidanylidene-4-phenylazanyl-3-(phenylcarbamoyl)butyl]azanium; hydrogen sulfate

Systemtic Name: diethyl-[4-oxidanylidene-4-phenylazanyl-3-(phenylcarbamoyl)butyl]azanium; hydrogen sulfate Openeye Name: [4-anilino-4-oxo-3-(phenylcarbamoyl)butyl]-diethyl-ammonium; hydrogen sulfate CAS Name: [4-anilino-3-[anilino(oxo)methyl]-4-oxobutyl]-diethylammonium; hydrogen sulfate IUPAC Name: [4-anilino-4-oxo-3-(phenylcarbamoyl)butyl]-diethylazanium; hydrogen sulfate Traditional Name: [4-anilino-4-keto-3-(phenylcarbamoyl)butyl]-diethyl-ammonium bisulfate Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2.OS(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H27N3O2.H2O4S/c1-3-24(4-2)16-15-19(20(25)22-17-11-7-5-8-12-17)21(26)23-18-13-9-6-10-14-18;1-5(2,3)4/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25)(H,23,26);(H2,1,2,3,4)