1-[(3-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-m-anisyl-4-methyl-1,4-diazepane-1,4-diium Formula: C14H24N2O+2 MolecularWeight: 236.35316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C14H22N2O/c1-15-7-4-8-16(10-9-15)12-13-5-3-6-14(11-13)17-2/h3,5-6,11H,4,7-10,12H2,1-2H3/p+2