[2-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[3-(2-methylphenyl)propyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C21H31N3+2 MolecularWeight: 325.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C21H29N3/c1-18-7-2-3-8-19(18)10-6-12-23-13-15-24(16-14-23)21-11-5-4-9-20(21)17-22/h2-5,7-9,11H,6,10,12-17,22H2,1H3/p+2