2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[3-[(4-bromobenzoyl)amino]propanoylamino]ethyl-diisopropyl-ammonium CAS Name: 2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[3-[(4-bromobenzoyl)amino]propanoylamino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[3-[(4-bromobenzoyl)amino]propanoylamino]ethyl-diisopropyl-ammonium Formula: C18H29BrN3O2+ MolecularWeight: 399.34576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)CCNC(=O)C1=CC=C(C=C1)Br)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)CCNC(=O)C1=CC=C(C=C1)Br)C(C)C

InChI

InChI=1S/C18H28BrN3O2/c1-13(2)22(14(3)4)12-11-20-17(23)9-10-21-18(24)15-5-7-16(19)8-6-15/h5-8,13-14H,9-12H2,1-4H3,(H,20,23)(H,21,24)/p+1