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

Systemtic Name: 1-methyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-(o-tolylmethyl)-1,4-diazepan-4-ium CAS Name: 1-methyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-(2-methylbenzyl)-1,4-diazepan-4-ium Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C

InChI

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