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

Systemtic Name: 3-chloranyl-2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]aniline Openeye Name: 3-chloro-2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]aniline CAS Name: 3-chloro-2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]aniline IUPAC Name: 3-chloro-2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]aniline Traditional Name: [3-chloro-2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]phenyl]amine Formula: C17H21ClN3+ MolecularWeight: 302.82174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=C3Cl)N

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C3=C(C=CC=C3Cl)N

InChI

InChI=1S/C17H20ClN3/c1-20-10-11-21(17-14(18)8-5-9-15(17)19)16(12-20)13-6-3-2-4-7-13/h2-9,16H,10-12,19H2,1H3/p+1/t16-/m1/s1