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

Systemtic Name: 1-methyl-4-[3-(3-propan-2-ylphenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-[3-(3-isopropylphenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[3-(3-propan-2-ylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[3-(3-propan-2-ylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-[3-(3-isopropylphenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-15(2)16-6-4-7-17(14-16)20-13-5-8-19-11-9-18(3)10-12-19/h4,6-7,14-15H,5,8-13H2,1-3H3/p+2