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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-14(2)17-6-5-16(13-15(17)3)20-12-11-19-9-7-18(4)8-10-19/h5-6,13-14H,7-12H2,1-4H3/p+2