1-[(4-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(4-ethoxybenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C15H26N2O+2 MolecularWeight: 250.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O/c1-3-18-15-7-5-14(6-8-15)13-17-10-4-9-16(2)11-12-17/h5-8H,3-4,9-13H2,1-2H3/p+2