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

Systemtic Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C18H24N3+ MolecularWeight: 282.40326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3/c1-15-5-2-3-6-16(15)14-20-9-11-21(12-10-20)18-8-4-7-17(19)13-18/h2-8,13H,9-12,14,19H2,1H3/p+1