2-[4-(phenylmethyl)pyridin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)pyridin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(isopropylcarbamoyl)acetamide CAS Name: N-[oxo-(propan-2-ylamino)methyl]-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(isopropylcarbamoyl)acetamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C[N+]1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)NC(=O)C[N+]1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2/c1-14(2)19-18(23)20-17(22)13-21-10-8-16(9-11-21)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H-,19,20,22,23)/p+1