1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]piperidin-1-ium-4-carboxylate Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H16N2O4/c16-8-12(17-5-3-10(4-6-17)15(18)19)11-1-2-13-14(7-11)21-9-20-13/h1-2,7,10,12H,3-6,9H2,(H,18,19)/t12-/m1/s1