1-methyl-4-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethyl]piperazine-1,4-diium Openeye Name: 1-[2-(2-benzyl-4-methyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethyl]piperazine-1,4-diium IUPAC Name: 1-[2-(2-benzyl-4-methylphenoxy)ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-(2-benzyl-4-methyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH+]2CC[NH+](CC2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH+]2CC[NH+](CC2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-18-8-9-21(20(16-18)17-19-6-4-3-5-7-19)24-15-14-23-12-10-22(2)11-13-23/h3-9,16H,10-15,17H2,1-2H3/p+2