(3S)-N-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-piperonylpiperidin-1-ium-3-carboxamide Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H18N2O3/c17-14(11-2-1-5-15-8-11)16-7-10-3-4-12-13(6-10)19-9-18-12/h3-4,6,11,15H,1-2,5,7-9H2,(H,16,17)/p+1/t11-/m0/s1