1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperazine-1,4-diium

Systemtic Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(2-methoxy-4-methylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(2-methoxy-4-methylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperazine-1,4-diium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-14-5-6-15(16(13-14)19-2)20-12-4-3-9-18-10-7-17-8-11-18/h5-6,13,17H,3-4,7-12H2,1-2H3/p+2