ethyl 4-phenyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-phenyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-phenyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate CAS Name: 4-phenyl-4-prop-2-ynyl-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate Traditional Name: 4-phenyl-4-propargyl-piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(CC#C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(CC#C)C2=CC=CC=C2

InChI

InChI=1S/C16H21N2O2/c1-3-12-18(15-8-6-5-7-9-15)13-10-17(11-14-18)16(19)20-4-2/h1,5-9H,4,10-14H2,2H3/q+1