1-methyl-4-[3-(3-methyl-5-propan-2-yl-phenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[3-(3-methyl-5-propan-2-yl-phenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC[NH+]2CC[NH+](CC2)C)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC[NH+]2CC[NH+](CC2)C)C(C)C

InChI

InChI=1S/C18H30N2O/c1-15(2)17-12-16(3)13-18(14-17)21-11-5-6-20-9-7-19(4)8-10-20/h12-15H,5-11H2,1-4H3/p+2