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

Systemtic Name: 1-[3-(2-methyl-5-propan-2-yl-phenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-[3-(5-isopropyl-2-methyl-phenoxy)propyl]piperazine-1,4-diium CAS Name: 1-[3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-[3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-[3-(5-isopropyl-2-methyl-phenoxy)propyl]piperazine-1,4-diium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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