1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)propan-2-one

Systemtic Name: 1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)propan-2-one Openeye Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)propan-2-one CAS Name: 1-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-2-propanone IUPAC Name: 1-(2-amino-3-butylbenzimidazol-1-ium-1-yl)propan-2-one Traditional Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetone Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C

InChI

InChI=1S/C14H19N3O/c1-3-4-9-16-12-7-5-6-8-13(12)17(14(16)15)10-11(2)18/h5-8,15H,3-4,9-10H2,1-2H3/p+1