N-(1H-benzimidazol-3-ium-2-ylmethyl)butanamide

Systemtic Name: N-(1H-benzimidazol-3-ium-2-ylmethyl)butanamide Openeye Name: N-(1H-benzimidazol-3-ium-2-ylmethyl)butanamide CAS Name: N-(1H-benzimidazol-3-ium-2-ylmethyl)butanamide IUPAC Name: N-(1H-benzimidazol-3-ium-2-ylmethyl)butanamide Traditional Name: N-(1H-benzimidazol-3-ium-2-ylmethyl)butyramide Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CCCC(=O)NCC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)/p+1