methyl (2S)-2-piperidin-1-ium-1-ylpent-4-enoate

Systemtic Name: methyl (2S)-2-piperidin-1-ium-1-ylpent-4-enoate Openeye Name: methyl (2S)-2-piperidin-1-ium-1-ylpent-4-enoate CAS Name: (2S)-2-(1-piperidin-1-iumyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (2S)-2-piperidin-1-ium-1-ylpent-4-enoate Traditional Name: (2S)-2-piperidin-1-ium-1-ylpent-4-enoic acid methyl ester Formula: C11H20NO2+ MolecularWeight: 198.282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C)[NH+]1CCCCC1

Isomeric SMILES

COC(=O)[C@H](CC=C)[NH+]1CCCCC1

InChI

InChI=1S/C11H19NO2/c1-3-7-10(11(13)14-2)12-8-5-4-6-9-12/h3,10H,1,4-9H2,2H3/p+1/t10-/m0/s1