3H-benzimidazol-5-yl(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: 3H-benzimidazol-5-yl(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: 3H-benzimidazol-5-yl(1,4-diazepan-4-ium-1-yl)methanone CAS Name: 3H-benzimidazol-5-yl(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: 3H-benzimidazol-5-yl(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: 3H-benzimidazol-5-yl(1,4-diazepan-4-ium-1-yl)methanone Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C13H16N4O/c18-13(17-6-1-4-14-5-7-17)10-2-3-11-12(8-10)16-9-15-11/h2-3,8-9,14H,1,4-7H2,(H,15,16)/p+1