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

Systemtic Name: 1-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine-1,4-diium IUPAC Name: 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]piperazine-1,4-diium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC[NH+]2CC[NH2+]CC2)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC[NH+]2CC[NH2+]CC2)C(C)C

InChI

InChI=1S/C16H26N2O/c1-13(2)16-5-4-15(12-14(16)3)19-11-10-18-8-6-17-7-9-18/h4-5,12-13,17H,6-11H2,1-3H3/p+2