2-[[3-chloranyl-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C25H34ClN3O2+2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC=CC3=CC=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H32ClN3O2/c1-28(2)18-14-27-25(30)21-10-11-24(23(26)19-21)31-22-12-16-29(17-13-22)15-6-9-20-7-4-3-5-8-20/h3-11,19,22H,12-18H2,1-2H3,(H,27,30)/p+2/b9-6+