N-(4-phenylbutoxy)-N-(6-pyridin-1-ium-2-ylpyridin-2-yl)methanamide

Systemtic Name: N-(4-phenylbutoxy)-N-(6-pyridin-1-ium-2-ylpyridin-2-yl)methanamide Openeye Name: N-(4-phenylbutoxy)-N-(6-pyridin-1-ium-2-yl-2-pyridyl)formamide CAS Name: N-(4-phenylbutoxy)-N-[6-(2-pyridin-1-iumyl)-2-pyridinyl]formamide IUPAC Name: N-(4-phenylbutoxy)-N-(6-pyridin-1-ium-2-ylpyridin-2-yl)formamide Traditional Name: N-(4-phenylbutoxy)-N-(6-pyridin-1-ium-2-yl-2-pyridyl)formamide Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCON(C=O)C2=CC=CC(=N2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C(C=C1)CCCCON(C=O)C2=CC=CC(=N2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H21N3O2/c25-17-24(26-16-7-5-11-18-9-2-1-3-10-18)21-14-8-13-20(23-21)19-12-4-6-15-22-19/h1-4,6,8-10,12-15,17H,5,7,11,16H2/p+1