1-(2-imidazol-1-ylethyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(2-imidazol-1-ylethyl)-1,4-diazepan-4-ium Openeye Name: 1-(2-imidazol-1-ylethyl)-1,4-diazepan-4-ium CAS Name: 1-[2-(1-imidazolyl)ethyl]-1,4-diazepan-4-ium IUPAC Name: 1-(2-imidazol-1-ylethyl)-1,4-diazepan-4-ium Traditional Name: 1-(2-imidazol-1-ylethyl)-1,4-diazepan-4-ium Formula: C10H19N4+ MolecularWeight: 195.28466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N4/c1-2-11-3-6-13(5-1)8-9-14-7-4-12-10-14/h4,7,10-11H,1-3,5-6,8-9H2/p+1