4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]aniline

Systemtic Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]aniline Openeye Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]aniline CAS Name: 4-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]aniline IUPAC Name: 4-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]aniline Traditional Name: [4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]phenyl]amine Formula: C17H23N3+2 MolecularWeight: 269.38462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3/c1-19-11-12-20(16-9-7-15(18)8-10-16)17(13-19)14-5-3-2-4-6-14/h2-10,17H,11-13,18H2,1H3/p+2/t17-/m1/s1