[(1S)-2-oxidanylidene-1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-oxo-1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(1S)-2-oxo-1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-1-phenyl-ethyl]ammonium Formula: C21H27N3O+2 MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)[C@H](C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C21H25N3O/c22-20(19-11-5-2-6-12-19)21(25)24-16-14-23(15-17-24)13-7-10-18-8-3-1-4-9-18/h1-12,20H,13-17,22H2/p+2/b10-7+/t20-/m0/s1