(5S)-N-ethyl-5-(4-oxidanylpiperidin-1-ium-1-yl)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5S)-N-ethyl-5-(4-oxidanylpiperidin-1-ium-1-yl)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-N-ethyl-5-(4-hydroxy-1-piperidin-1-iumyl)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCC(CC3)O)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCC(CC3)O)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c1-2-23-22(28)21-19-14-17(25-12-10-18(27)11-13-25)8-9-20(19)26(24-21)15-16-6-4-3-5-7-16/h3-7,17-18,27H,2,8-15H2,1H3,(H,23,28)/p+1/t17-/m0/s1