[4-[[[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[(E)-3-[4-(1-imidazolyl)phenyl]-1-oxoprop-2-enyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[(E)-3-(4-imidazol-1-ylphenyl)acryloyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C22H24N4O/c1-25(2)16-20-5-3-19(4-6-20)15-24-22(27)12-9-18-7-10-21(11-8-18)26-14-13-23-17-26/h3-14,17H,15-16H2,1-2H3,(H,24,27)/p+1/b12-9+