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

Systemtic Name: 1-methyl-4-[4-[4-(phenylmethyl)phenoxy]butyl]piperazine-1,4-diium Openeye Name: 1-[4-(4-benzylphenoxy)butyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[4-[4-(phenylmethyl)phenoxy]butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(4-benzylphenoxy)butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(4-benzylphenoxy)butyl]-4-methyl-piperazine-1,4-diium Formula: C22H32N2O+2 MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-23-14-16-24(17-15-23)13-5-6-18-25-22-11-9-21(10-12-22)19-20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-19H2,1H3/p+2