1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2,4-dimethoxy-3-methyl-benzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCC[NH+](CC2)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCC[NH+](CC2)C)OC

InChI

InChI=1S/C16H26N2O2/c1-13-15(19-3)7-6-14(16(13)20-4)12-18-9-5-8-17(2)10-11-18/h6-7H,5,8-12H2,1-4H3/p+2