1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperazin-4-ium

Systemtic Name: 1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperazin-4-ium Openeye Name: 1-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]piperazin-4-ium CAS Name: 1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperazin-4-ium IUPAC Name: 1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperazin-4-ium Traditional Name: 1-[3-(4-cumylphenoxy)propyl]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)OCCCN3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCN3CC[NH2+]CC3

InChI

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