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

Systemtic Name: 2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]benzaldehyde CAS Name: 2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]benzaldehyde Traditional Name: 2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]benzaldehyde Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C3=CC=CC=C3C=O

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C3=CC=CC=C3C=O

InChI

InChI=1S/C18H20N2O/c1-19-11-12-20(17-10-6-5-9-16(17)14-21)18(13-19)15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3/p+1/t18-/m1/s1