1-methyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazine-1,4-diium Openeye Name: 1-[3-(4-benzylphenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazine-1,4-diium IUPAC Name: 1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[3-(4-benzylphenoxy)propyl]-4-methyl-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)CCCOC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCOC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

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