(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C15H21N2O4+ MolecularWeight: 293.33824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C15H20N2O4/c1-19-12-5-10(6-13-14(12)21-9-20-13)7-17-4-2-3-11(8-17)15(16)18/h5-6,11H,2-4,7-9H2,1H3,(H2,16,18)/p+1/t11-/m0/s1