1-methyl-4-[3-[4-methyl-2-(phenylmethyl)phenoxy]propyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[3-[4-methyl-2-(phenylmethyl)phenoxy]propyl]piperazine-1,4-diium Openeye Name: 1-[3-(2-benzyl-4-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[3-[4-methyl-2-(phenylmethyl)phenoxy]propyl]piperazine-1,4-diium IUPAC Name: 1-[3-(2-benzyl-4-methylphenoxy)propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[3-(2-benzyl-4-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C22H32N2O+2 MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-19-9-10-22(21(17-19)18-20-7-4-3-5-8-20)25-16-6-11-24-14-12-23(2)13-15-24/h3-5,7-10,17H,6,11-16,18H2,1-2H3/p+2