(3S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C15H18N2O5/c18-14(8-17-5-1-2-10(7-17)15(19)20)16-11-3-4-12-13(6-11)22-9-21-12/h3-4,6,10H,1-2,5,7-9H2,(H,16,18)(H,19,20)/t10-/m0/s1