(4S)-1-pyridin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydroindazol-4-amine

Systemtic Name: (4S)-1-pyridin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: (4S)-1-(2-pyridyl)-N-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydroindazol-4-amine CAS Name: (4S)-1-(2-pyridinyl)-N-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: (4S)-1-pyridin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: [1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]amine Formula: C23H29N6+ MolecularWeight: 389.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)NC4CC[NH+](CC4)CC5=CC=CC=N5

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)NC4CC[NH+](CC4)CC5=CC=CC=N5

InChI

InChI=1S/C23H28N6/c1-3-12-24-19(6-1)17-28-14-10-18(11-15-28)27-21-7-5-8-22-20(21)16-26-29(22)23-9-2-4-13-25-23/h1-4,6,9,12-13,16,18,21,27H,5,7-8,10-11,14-15,17H2/p+1/t21-/m0/s1