3-[(4-bromophenyl)carbamoylamino]propyl-(6-methoxy-6-oxidanylidene-hexan-2-yl)-(1-phenylethyl)azanium iodide

Systemtic Name: 3-[(4-bromophenyl)carbamoylamino]propyl-(6-methoxy-6-oxidanylidene-hexan-2-yl)-(1-phenylethyl)azanium iodide Openeye Name: 3-[(4-bromophenyl)carbamoylamino]propyl-(5-methoxy-1-methyl-5-oxo-pentyl)-(1-phenylethyl)ammonium iodide CAS Name: 3-[[(4-bromoanilino)-oxomethyl]amino]propyl-(6-methoxy-6-oxohexan-2-yl)-(1-phenylethyl)ammonium iodide IUPAC Name: 3-[(4-bromophenyl)carbamoylamino]propyl-(6-methoxy-6-oxohexan-2-yl)-(1-phenylethyl)azanium iodide Traditional Name: 3-[(4-bromophenyl)carbamoylamino]propyl-(5-keto-5-methoxy-1-methyl-pentyl)-(1-phenylethyl)ammonium iodide Formula: C25H35BrIN3O3 MolecularWeight: 632.37217

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)OC)[NH+](CCCNC(=O)NC1=CC=C(C=C1)Br)C(C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC(CCCC(=O)OC)[NH+](CCCNC(=O)NC1=CC=C(C=C1)Br)C(C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C25H34BrN3O3.HI/c1-19(9-7-12-24(30)32-3)29(20(2)21-10-5-4-6-11-21)18-8-17-27-25(31)28-23-15-13-22(26)14-16-23;/h4-6,10-11,13-16,19-20H,7-9,12,17-18H2,1-3H3,(H2,27,28,31);1H