1-[4-(2,3,6-trimethylphenoxy)butyl]piperazine-1,4-diium

Systemtic Name: 1-[4-(2,3,6-trimethylphenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-[4-(2,3,6-trimethylphenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(2,3,6-trimethylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(2,3,6-trimethylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(2,3,6-trimethylphenoxy)butyl]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)OCCCC[NH+]2CC[NH2+]CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-14-6-7-15(2)17(16(14)3)20-13-5-4-10-19-11-8-18-9-12-19/h6-7,18H,4-5,8-13H2,1-3H3/p+2