N-(1,3-benzodioxol-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCC(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H24N2O3/c1-12-7-13(2)10-19(9-12)6-5-17(20)18-14-3-4-15-16(8-14)22-11-21-15/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m0/s1