1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-(o-tolylmethyl)-1,4-diazepan-1-ium CAS Name: 1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(2-methylbenzyl)-1,4-diazepan-1-ium Formula: C13H21N2+ MolecularWeight: 205.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCNCC2

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCNCC2

InChI

InChI=1S/C13H20N2/c1-12-5-2-3-6-13(12)11-15-9-4-7-14-8-10-15/h2-3,5-6,14H,4,7-11H2,1H3/p+1