[(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[(E)-3-(4-ethylphenyl)acryloyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O/c1-4-17-10-12-18(13-11-17)14-15-21(24)22-20(16-23(2)3)19-8-6-5-7-9-19/h5-15,20H,4,16H2,1-3H3,(H,22,24)/p+1/b15-14+/t20-/m1/s1