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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C15H26N2+2 MolecularWeight: 234.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC[NH+](CC2)C

InChI

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