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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CC3=CC(=CC=C3)N

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CC3=CC(=CC=C3)N

InChI

InChI=1S/C18H23N3/c1-20-10-11-21(13-15-6-5-9-17(19)12-15)18(14-20)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14,19H2,1H3/p+1/t18-/m1/s1