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

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-(3-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=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3C[NH3+]

InChI

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