ethyl 4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-tetralin-2-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-tetralin-2-yl]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)C2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H24N2O2/c1-2-21-17(20)19-11-9-18(10-12-19)16-8-7-14-5-3-4-6-15(14)13-16/h3-6,16H,2,7-13H2,1H3/p+1/t16-/m0/s1