1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-[(2-allyloxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-(2-allyloxybenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C16H26N2O+2 MolecularWeight: 262.39044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC=CC=C2OCC=C

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=CC=C2OCC=C

InChI

InChI=1S/C16H24N2O/c1-3-13-19-16-8-5-4-7-15(16)14-18-10-6-9-17(2)11-12-18/h3-5,7-8H,1,6,9-14H2,2H3/p+2