[4-[[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-cyclohexyl-dimethyl-azanium

Systemtic Name: [4-[[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-cyclohexyl-dimethyl-azanium Openeye Name: [4-[[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-cyclohexyl-dimethyl-ammonium CAS Name: [4-[[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]methyl]phenyl]methyl-cyclohexyl-dimethylammonium IUPAC Name: [4-[[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-cyclohexyl-dimethylazanium Traditional Name: [4-[[[(E)-3-(3-bromophenyl)acryloyl]amino]methyl]benzyl]-cyclohexyl-dimethyl-ammonium Formula: C25H32BrN2O+ MolecularWeight: 456.43838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)Br)C3CCCCC3

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC(=CC=C2)Br)C3CCCCC3

InChI

InChI=1S/C25H31BrN2O/c1-28(2,24-9-4-3-5-10-24)19-22-13-11-21(12-14-22)18-27-25(29)16-15-20-7-6-8-23(26)17-20/h6-8,11-17,24H,3-5,9-10,18-19H2,1-2H3/p+1/b16-15+