1-ethyl-4-[3-(3-propan-2-ylphenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[3-(3-propan-2-ylphenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[3-(3-isopropylphenoxy)propyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[3-(3-propan-2-ylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[3-(3-propan-2-ylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[3-(3-isopropylphenoxy)propyl]piperazine-1,4-diium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(C)C

InChI

InChI=1S/C18H30N2O/c1-4-19-10-12-20(13-11-19)9-6-14-21-18-8-5-7-17(15-18)16(2)3/h5,7-8,15-16H,4,6,9-14H2,1-3H3/p+2