1-[(4-butoxyphenyl)methyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[(4-butoxyphenyl)methyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[(4-butoxyphenyl)methyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[(4-butoxyphenyl)methyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-(4-butoxybenzyl)-4-ethyl-piperazine-1,4-diium Formula: C17H30N2O+2 MolecularWeight: 278.4329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC

InChI

InChI=1S/C17H28N2O/c1-3-5-14-20-17-8-6-16(7-9-17)15-19-12-10-18(4-2)11-13-19/h6-9H,3-5,10-15H2,1-2H3/p+2