3-[aminocarbonyl-(4-bromophenyl)amino]propyl-ethyl-(4-oxidanyl-4-oxidanylidene-butyl)-(1-phenylethyl)azanium

Systemtic Name: 3-[aminocarbonyl-(4-bromophenyl)amino]propyl-ethyl-(4-oxidanyl-4-oxidanylidene-butyl)-(1-phenylethyl)azanium Openeye Name: 3-(4-bromo-N-carbamoyl-anilino)propyl-ethyl-(4-hydroxy-4-oxo-butyl)-(1-phenylethyl)ammonium CAS Name: 3-(4-bromo-N-carbamoylanilino)propyl-ethyl-(4-hydroxy-4-oxobutyl)-(1-phenylethyl)ammonium IUPAC Name: 3-(4-bromo-N-carbamoylanilino)propyl-ethyl-(4-hydroxy-4-oxobutyl)-(1-phenylethyl)azanium Traditional Name: 3-(4-bromo-N-carbamoyl-anilino)propyl-ethyl-(4-hydroxy-4-keto-butyl)-(1-phenylethyl)ammonium Formula: C24H33BrN3O3+ MolecularWeight: 491.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCCC(=O)O)(CCCN(C1=CC=C(C=C1)Br)C(=O)N)C(C)C2=CC=CC=C2

Isomeric SMILES

CC[N+](CCCC(=O)O)(CCCN(C1=CC=C(C=C1)Br)C(=O)N)C(C)C2=CC=CC=C2

InChI

InChI=1S/C24H32BrN3O3/c1-3-28(17-7-11-23(29)30,19(2)20-9-5-4-6-10-20)18-8-16-27(24(26)31)22-14-12-21(25)13-15-22/h4-6,9-10,12-15,19H,3,7-8,11,16-18H2,1-2H3,(H2-,26,29,30,31)/p+1