1-[(E)-3-chloranylprop-2-enyl]-1,4-diazepan-4-ium

Systemtic Name: 1-[(E)-3-chloranylprop-2-enyl]-1,4-diazepan-4-ium Openeye Name: 1-[(E)-3-chloroallyl]-1,4-diazepan-4-ium CAS Name: 1-[(E)-3-chloroprop-2-enyl]-1,4-diazepan-4-ium IUPAC Name: 1-[(E)-3-chloroprop-2-enyl]-1,4-diazepan-4-ium Traditional Name: 1-[(E)-3-chloroallyl]-1,4-diazepan-4-ium Formula: C8H16ClN2+ MolecularWeight: 175.67904

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC=CCl

Isomeric SMILES

C1C[NH2+]CCN(C1)C/C=C/Cl

InChI

InChI=1S/C8H15ClN2/c9-3-1-6-11-7-2-4-10-5-8-11/h1,3,10H,2,4-8H2/p+1/b3-1+