1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2,5-dimethylbenzyl)-4-methyl-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[NH+](CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2/c1-13-5-6-14(2)15(11-13)12-17-8-4-7-16(3)9-10-17/h5-6,11H,4,7-10,12H2,1-3H3/p+2