N-[[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide CAS Name: N-[[(3S)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]methyl]-1H-indazole-3-carboxamide IUPAC Name: N-[[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Traditional Name: N-[[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CNC3=CC=CC=C32)CNC(=O)C4=NNC5=CC=CC=C54

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CNC3=CC=CC=C32)CNC(=O)C4=NNC5=CC=CC=C54

InChI

InChI=1S/C23H25N5O/c29-23(22-19-8-2-4-10-21(19)26-27-22)25-12-16-6-5-11-28(14-16)15-17-13-24-20-9-3-1-7-18(17)20/h1-4,7-10,13,16,24H,5-6,11-12,14-15H2,(H,25,29)(H,26,27)/p+1/t16-/m0/s1