ethyl 4-[(3S)-3,7-dimethyloct-6-enyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3,7-dimethyloct-6-enyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-3,7-dimethyloct-6-enyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-3,7-dimethyloct-6-enyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3,7-dimethyloct-6-enyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-3,7-dimethyloct-6-enyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H33N2O2+ MolecularWeight: 297.45612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(C)CCC=C(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC[C@@H](C)CCC=C(C)C

InChI

InChI=1S/C17H32N2O2/c1-5-21-17(20)19-13-11-18(12-14-19)10-9-16(4)8-6-7-15(2)3/h7,16H,5-6,8-14H2,1-4H3/p+1/t16-/m0/s1