1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1,4-diium CAS Name: 1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-(2,4,6-trimethylbenzyl)-1,4-diazepane-1,4-diium Formula: C15H26N2+2 MolecularWeight: 234.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C[NH+]2CCC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C[NH+]2CCC[NH2+]CC2)C

InChI

InChI=1S/C15H24N2/c1-12-9-13(2)15(14(3)10-12)11-17-7-4-5-16-6-8-17/h9-10,16H,4-8,11H2,1-3H3/p+2