1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-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:

CCOC1=C(C=CC(=C1)C[NH+]2CCC[NH+](CC2)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[NH+](CC2)C)OC

InChI

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