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

Systemtic Name: [2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C19H27N3+2 MolecularWeight: 297.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C19H25N3/c1-16-6-2-3-8-18(16)15-21-10-12-22(13-11-21)19-9-5-4-7-17(19)14-20/h2-9H,10-15,20H2,1H3/p+2