[4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-[2-(3-methylphenoxy)ethyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-[2-(3-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=C1)OCC[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

InChI

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