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

Systemtic Name: 1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-(m-tolylmethyl)-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(3-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(=CC=C1)C[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2/c1-13-5-3-6-14(11-13)12-16-8-4-7-15(2)9-10-16/h3,5-6,11H,4,7-10,12H2,1-2H3/p+2