ethyl 4-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(E)-2-methylbut-2-enyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H32N3O2+ MolecularWeight: 310.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC(=CC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)C/C(=C/C)/C

InChI

InChI=1S/C17H31N3O2/c1-4-15(3)13-18-8-6-7-16(14-18)19-9-11-20(12-10-19)17(21)22-5-2/h4,16H,5-14H2,1-3H3/p+1/b15-4+/t16-/m0/s1