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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-piperonyl-propionamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-4-17(5-2)18-8-10-23(11-9-18)15(3)21(24)22-13-16-6-7-19-20(12-16)26-14-25-19/h6-12,15,17H,4-5,13-14H2,1-3H3/p+1/t15-/m1/s1