3-(3H-benzimidazol-1-ium-1-yl)-N-(pyridin-4-ylmethylideneamino)propanamide

Systemtic Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-(pyridin-4-ylmethylideneamino)propanamide Openeye Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-(4-pyridylmethyleneamino)propanamide CAS Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-(pyridin-4-ylmethylideneamino)propanamide IUPAC Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-(pyridin-4-ylmethylideneamino)propanamide Traditional Name: 3-(3H-benzimidazol-1-ium-1-yl)-N-(4-pyridylmethyleneamino)propionamide Formula: C16H16N5O+ MolecularWeight: 294.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CCC(=O)NN=CC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CCC(=O)NN=CC3=CC=NC=C3

InChI

InChI=1S/C16H15N5O/c22-16(20-19-11-13-5-8-17-9-6-13)7-10-21-12-18-14-3-1-2-4-15(14)21/h1-6,8-9,11-12H,7,10H2,(H,17,20,22)/p+1