1-[(3S,7E)-3-phenyl-7-(phenylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S,7E)-3-phenyl-7-(phenylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S,7E)-7-benzylidene-3-phenyl-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S,7E)-3-phenyl-7-(phenylmethylene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S,7E)-7-benzylidene-3-phenyl-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(3S,7E)-7-benzal-3-phenyl-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(C3=C(N2)C(=CC4=CC=CC=C4)CCC3)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@H](C3=C(N2)/C(=C/C4=CC=CC=C4)/CCC3)C5=CC=CC=C5

InChI

InChI=1S/C27H31N3O/c31-25(20-29-17-8-3-9-18-29)30-27(22-13-6-2-7-14-22)24-16-10-15-23(26(24)28-30)19-21-11-4-1-5-12-21/h1-2,4-7,11-14,19,27-28H,3,8-10,15-18,20H2/p+1/b23-19+/t27-/m0/s1