2-(1H-indol-3-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(1H-indol-3-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(1H-indol-3-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(1H-indol-3-yl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(1H-indol-3-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(1H-indol-3-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O/c26-21(12-16-13-23-20-9-2-1-8-19(16)20)24-18-7-5-11-25(15-18)14-17-6-3-4-10-22-17/h1-4,6,8-10,13,18,23H,5,7,11-12,14-15H2,(H,24,26)/p+1/t18-/m0/s1