dimethyl-[2-[3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: 2-[3-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[1-oxo-3-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]propyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Traditional Name: 2-[3-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H33N3O/c1-23(2)18-14-22-21(25)11-10-20-12-16-24(17-13-20)15-6-9-19-7-4-3-5-8-19/h3-9,20H,10-18H2,1-2H3,(H,22,25)/p+2/b9-6+