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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(cyclohexylcarbamoyl)acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(cyclohexylcarbamoyl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(cyclohexylcarbamoyl)acetamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c25-20(23-21(26)22-19-9-5-2-6-10-19)16-24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-16H2,(H-,22,23,25,26)/p+1