(1-phenethylpiperidin-1-ium-4-yl)-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: (1-phenethylpiperidin-1-ium-4-yl)-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (1-phenethylpiperidin-1-ium-4-yl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (1-phenethyl-4-piperidin-1-iumyl)-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (1-phenethylpiperidin-1-ium-4-yl)-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (1-phenethylpiperidin-1-ium-4-yl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C25H33N5+2 MolecularWeight: 403.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]C4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]C4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H31N5/c1-2-7-20(8-3-1)12-16-29-17-13-21(14-18-29)28-23-9-6-10-24-22(23)19-27-30(24)25-11-4-5-15-26-25/h1-5,7-8,11,15,19,21,23,28H,6,9-10,12-14,16-18H2/p+2/t23-/m0/s1