3-phenyl-N-(pyridin-1-ium-3-ylmethyl)butanamide

Systemtic Name: 3-phenyl-N-(pyridin-1-ium-3-ylmethyl)butanamide Openeye Name: 3-phenyl-N-(pyridin-1-ium-3-ylmethyl)butanamide CAS Name: 3-phenyl-N-(3-pyridin-1-iumylmethyl)butanamide IUPAC Name: 3-phenyl-N-(pyridin-1-ium-3-ylmethyl)butanamide Traditional Name: 3-phenyl-N-(pyridin-1-ium-3-ylmethyl)butyramide Formula: C16H19N2O+ MolecularWeight: 255.33486

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1=C[NH+]=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)NCC1=C[NH+]=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O/c1-13(15-7-3-2-4-8-15)10-16(19)18-12-14-6-5-9-17-11-14/h2-9,11,13H,10,12H2,1H3,(H,18,19)/p+1