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

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]azanium Traditional Name: [(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]ammonium Formula: C16H25N3O+2 MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H23N3O/c1-14(17)16(20)19-12-10-18(11-13-19)9-5-8-15-6-3-2-4-7-15/h2-8,14H,9-13,17H2,1H3/p+2/b8-5+/t14-/m0/s1