3-(1H-indol-3-yl)-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-3-(1H-indol-3-yl)propanamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-3-(1H-indol-3-yl)propanamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-3-(1H-indol-3-yl)propionamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CNC4=CC=CC=C43)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CNC4=CC=CC=C43)O

InChI

InChI=1S/C22H26N4O2/c27-18-6-4-12-26(15-18)22-17(5-3-11-23-22)14-25-21(28)10-9-16-13-24-20-8-2-1-7-19(16)20/h1-3,5,7-8,11,13,18,24,27H,4,6,9-10,12,14-15H2,(H,25,28)/p+1/t18-/m0/s1