1-(1,4-diazepan-4-ium-1-yl)-3-imidazol-1-yl-propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-imidazol-1-yl-propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-imidazol-1-yl-propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1-imidazolyl)-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-imidazol-1-ylpropan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-imidazol-1-yl-propan-1-one Formula: C11H19N4O+ MolecularWeight: 223.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCN2C=CN=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCN2C=CN=C2

InChI

InChI=1S/C11H18N4O/c16-11(2-7-14-8-4-13-10-14)15-6-1-3-12-5-9-15/h4,8,10,12H,1-3,5-7,9H2/p+1