1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazin-1-ium Openeye Name: 1-methyl-4-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]ethyl]piperazin-1-ium CAS Name: 1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazin-1-ium Traditional Name: 1-[2-(4-cumylphenoxy)ethyl]-4-methyl-piperazin-4-ium Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N2O/c1-22(2,19-7-5-4-6-8-19)20-9-11-21(12-10-20)25-18-17-24-15-13-23(3)14-16-24/h4-12H,13-18H2,1-3H3/p+1