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

Systemtic Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-(2-phenylphenoxy)butyl]piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-22-14-16-23(17-15-22)13-7-8-18-24-21-12-6-5-11-20(21)19-9-3-2-4-10-19/h2-6,9-12H,7-8,13-18H2,1H3/p+2