3-[[(E)-3-(3-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(E)-3-(3-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridyl)prop-2-enoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(E)-3-(3-bromophenyl)-1-oxo-2-(2-oxo-1-pyridinyl)prop-2-enyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(E)-3-(3-bromophenyl)-2-(2-oxopyridin-1-yl)prop-2-enoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(E)-3-(3-bromophenyl)-2-(2-keto-1-pyridyl)acryloyl]amino]propyl-diethyl-ammonium Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C(=CC1=CC(=CC=C1)Br)N2C=CC=CC2=O

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)/C(=C\C1=CC(=CC=C1)Br)/N2C=CC=CC2=O

InChI

InChI=1S/C21H26BrN3O2/c1-3-24(4-2)13-8-12-23-21(27)19(25-14-6-5-11-20(25)26)16-17-9-7-10-18(22)15-17/h5-7,9-11,14-16H,3-4,8,12-13H2,1-2H3,(H,23,27)/p+1/b19-16+