(2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-propyl-propionamide Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H28N2O4/c1-3-8-21-20(24)14(2)22-9-6-15(7-10-22)19(23)16-4-5-17-18(13-16)26-12-11-25-17/h4-5,13-15H,3,6-12H2,1-2H3,(H,21,24)/p+1/t14-/m0/s1