(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]propionamide Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)C(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-4-15(5-2)16-8-10-22(11-9-16)14(3)20(23)21-17-6-7-18-19(12-17)25-13-24-18/h6-12,14-15H,4-5,13H2,1-3H3/p+1/t14-/m1/s1