N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O3/c1-3-16(4-2)17-7-9-22(10-8-17)13-20(23)21-12-15-5-6-18-19(11-15)25-14-24-18/h5-11,16H,3-4,12-14H2,1-2H3/p+1