1-ethyl-4-[4-(3-phenoxyphenoxy)butyl]piperazin-4-ium

Systemtic Name: 1-ethyl-4-[4-(3-phenoxyphenoxy)butyl]piperazin-4-ium Openeye Name: 1-ethyl-4-[4-(3-phenoxyphenoxy)butyl]piperazin-4-ium CAS Name: 1-ethyl-4-[4-(3-phenoxyphenoxy)butyl]piperazin-4-ium IUPAC Name: 1-ethyl-4-[4-(3-phenoxyphenoxy)butyl]piperazin-4-ium Traditional Name: 1-ethyl-4-[4-(3-phenoxyphenoxy)butyl]piperazin-4-ium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

CCN1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2/c1-2-23-14-16-24(17-15-23)13-6-7-18-25-21-11-8-12-22(19-21)26-20-9-4-3-5-10-20/h3-5,8-12,19H,2,6-7,13-18H2,1H3/p+1