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

Systemtic Name: ethyl 4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C/C(=C/C2=CC=CC=C2)/C

InChI

InChI=1S/C17H24N2O2/c1-3-21-17(20)19-11-9-18(10-12-19)14-15(2)13-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/p+1/b15-13+