[2-[4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[2-(2-methylphenoxy)ethyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C20H27N3O/c1-17-6-2-5-9-20(17)24-15-14-22-10-12-23(13-11-22)19-8-4-3-7-18(19)16-21/h2-9H,10-16,21H2,1H3/p+2