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

Systemtic Name: 4-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-[3-(2-methylphenyl)propyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C20H27N3/c1-17-5-2-3-6-18(17)7-4-12-22-13-15-23(16-14-22)20-10-8-19(21)9-11-20/h2-3,5-6,8-11H,4,7,12-16,21H2,1H3/p+1