1-[2-(3-butoxyphenoxy)ethyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[2-(3-butoxyphenoxy)ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-(3-butoxyphenoxy)ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-(3-butoxyphenoxy)ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-(3-butoxyphenoxy)ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-(3-butoxyphenoxy)ethyl]-4-methyl-piperazine-1,4-diium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-3-4-13-20-16-6-5-7-17(15-16)21-14-12-19-10-8-18(2)9-11-19/h5-7,15H,3-4,8-14H2,1-2H3/p+2