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

Systemtic Name: ethyl 4-[(3S)-1-(cyclopenten-1-ylcarbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(cyclopentene-1-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[1-cyclopentenyl(oxo)methyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(cyclopentene-1-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CCCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CCCC3

InChI

InChI=1S/C18H29N3O3/c1-2-24-18(23)20-12-10-19(11-13-20)16-8-5-9-21(14-16)17(22)15-6-3-4-7-15/h6,16H,2-5,7-14H2,1H3/p+1/t16-/m0/s1