1-[4-(2-methylphenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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