ethyl 4-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[(E)-cinnamyl]-4-methyl-piperazin-4-ium-1-carboxylate chloride CAS Name: 4-methyl-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[(E)-cinnamyl]-4-methyl-piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C17H25ClN2O2 MolecularWeight: 324.8456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(C)CC=CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(C)C/C=C/C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H25N2O2.ClH/c1-3-21-17(20)18-11-14-19(2,15-12-18)13-7-10-16-8-5-4-6-9-16;/h4-10H,3,11-15H2,1-2H3;1H/q+1;/p-1/b10-7+;