1-[4-(3-chloranylphenoxy)butyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[4-(3-chloranylphenoxy)butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-(3-chlorophenoxy)butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-(3-chlorophenoxy)butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-(3-chlorophenoxy)butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(3-chlorophenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H25ClN2O/c1-2-18-9-11-19(12-10-18)8-3-4-13-20-16-7-5-6-15(17)14-16/h5-7,14H,2-4,8-13H2,1H3/p+2