1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-(p-tolylmethyl)-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(4-methylbenzyl)-1,4-diazepane-1,4-diium Formula: C14H24N2+2 MolecularWeight: 220.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2/c1-13-4-6-14(7-5-13)12-16-9-3-8-15(2)10-11-16/h4-7H,3,8-12H2,1-2H3/p+2