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

Systemtic Name: 1-methyl-4-[4-(4-phenylphenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[4-(4-phenylphenoxy)butyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[4-(4-phenylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[4-(4-phenylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-(4-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=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C3=CC=CC=C3

InChI

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