N-(3-methylbutylcarbamoyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C18H29N3O2/c1-5-15(6-2)16-8-11-21(12-9-16)13-17(22)20-18(23)19-10-7-14(3)4/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3,(H-,19,20,22,23)/p+1