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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3/c1-20-9-10-21(16-8-7-14(19)11-15(16)18)17(12-20)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12,19H2,1H3/p+1/t17-/m1/s1