N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]quinoxaline-5-carboxamide

Systemtic Name: N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]quinoxaline-5-carboxamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]quinoxaline-5-carboxamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-5-quinoxalinecarboxamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]quinoxaline-5-carboxamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]quinoxaline-5-carboxamide Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=C4C(=CC=C3)N=CC=N4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=C4C(=CC=C3)N=CC=N4)O

InChI

InChI=1S/C20H21N5O2/c26-15-5-3-11-25(13-15)19-14(4-2-8-23-19)12-24-20(27)16-6-1-7-17-18(16)22-10-9-21-17/h1-2,4,6-10,15,26H,3,5,11-13H2,(H,24,27)/p+1/t15-/m0/s1