1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-(m-tolylmethyl)-1,4-diazepan-4-ium CAS Name: 1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-(3-methylbenzyl)-1,4-diazepan-4-ium Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCCN(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+1