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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-14(2)16-11-15(3)12-17(13-16)20-10-4-7-19-8-5-18-6-9-19/h11-14,18H,4-10H2,1-3H3/p+2