[(2S)-2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H23BrN2O2/c1-23(2)14-18(15-7-5-4-6-8-15)22-20(24)12-9-16-13-17(21)10-11-19(16)25-3/h4-13,18H,14H2,1-3H3,(H,22,24)/p+1/b12-9+/t18-/m1/s1