2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(3-bromophenyl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C17H26BrN2O+ MolecularWeight: 354.30514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C=CC1=CC(=CC=C1)Br)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O/c1-13(2)20(14(3)4)11-10-19-17(21)9-8-15-6-5-7-16(18)12-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,21)/p+1/b9-8+