N-(3-methylbutylcarbamoyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(isopentylcarbamoyl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(isoamylcarbamoyl)acetamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-16(2)8-11-21-20(25)22-19(24)15-23-12-9-18(10-13-23)14-17-6-4-3-5-7-17/h3-7,9-10,12-13,16H,8,11,14-15H2,1-2H3,(H-,21,22,24,25)/p+1