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

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(2,4-dimethylbenzyl)-4-methyl-1,4-diazepan-1-ium Formula: C15H25N2+ MolecularWeight: 233.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2/c1-13-5-6-15(14(2)11-13)12-17-8-4-7-16(3)9-10-17/h5-6,11H,4,7-10,12H2,1-3H3/p+1