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

Systemtic Name: ethyl 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c1-2-26-21(25)24-13-10-20(11-14-24)23-17-15-22(16-18-23)12-6-9-19-7-4-3-5-8-19/h3-9,20H,2,10-18H2,1H3/p+1/b9-6+