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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

InChI

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