N-[(2R,3R,4R,6S)-1-methyl-2,3,6-triphenyl-piperidin-1-ium-4-yl]-1-phenyl-methanimine

Systemtic Name: N-[(2R,3R,4R,6S)-1-methyl-2,3,6-triphenyl-piperidin-1-ium-4-yl]-1-phenyl-methanimine Openeye Name: N-[(2R,3R,4R,6S)-1-methyl-2,3,6-triphenyl-piperidin-1-ium-4-yl]-1-phenyl-methanimine CAS Name: N-[(2R,3R,4R,6S)-1-methyl-2,3,6-triphenyl-4-piperidin-1-iumyl]-1-phenylmethanimine IUPAC Name: N-[(2R,3R,4R,6S)-1-methyl-2,3,6-triphenylpiperidin-1-ium-4-yl]-1-phenylmethanimine Traditional Name: benzal-[(2R,3R,4R,6S)-1-methyl-2,3,6-triphenyl-piperidin-1-ium-4-yl]amine Formula: C31H31N2+ MolecularWeight: 431.59124

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(C(C1C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1[C@@H](C[C@H]([C@H]([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2/c1-33-29(25-16-8-3-9-17-25)22-28(32-23-24-14-6-2-7-15-24)30(26-18-10-4-11-19-26)31(33)27-20-12-5-13-21-27/h2-21,23,28-31H,22H2,1H3/p+1/t28-,29+,30-,31+/m1/s1