ethyl 4-[(3S)-1-(cyclohexen-1-ylcarbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(cyclohexen-1-ylcarbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(cyclohexene-1-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[1-cyclohexenyl(oxo)methyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(cyclohexene-1-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(cyclohexene-1-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H32N3O3+ MolecularWeight: 350.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CCCCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CCCCC3

InChI

InChI=1S/C19H31N3O3/c1-2-25-19(24)21-13-11-20(12-14-21)17-9-6-10-22(15-17)18(23)16-7-4-3-5-8-16/h7,17H,2-6,8-15H2,1H3/p+1/t17-/m0/s1