methyl 4-phenethylpiperazin-4-ium-1-carboxylate

Systemtic Name: methyl 4-phenethylpiperazin-4-ium-1-carboxylate Openeye Name: methyl 4-phenethylpiperazin-4-ium-1-carboxylate CAS Name: 4-phenethyl-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-phenethylpiperazin-4-ium-1-carboxylate Traditional Name: 4-phenethylpiperazin-4-ium-1-carboxylic acid methyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-18-14(17)16-11-9-15(10-12-16)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1