5-(indol-1-ylmethyl)-N-[2-[(3R)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(indol-1-ylmethyl)-N-[2-[(3R)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]-1H-pyrazole-3-carboxamide Openeye Name: N-[2-[(3R)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide CAS Name: N-[2-[(3R)-3-hydroxy-1-piperidin-1-iumyl]ethyl]-5-(1-indolylmethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[2-[(3R)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-[2-[(3R)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCNC(=O)C2=NNC(=C2)CN3C=CC4=CC=CC=C43)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCNC(=O)C2=NNC(=C2)CN3C=CC4=CC=CC=C43)O

InChI

InChI=1S/C20H25N5O2/c26-17-5-3-9-24(14-17)11-8-21-20(27)18-12-16(22-23-18)13-25-10-7-15-4-1-2-6-19(15)25/h1-2,4,6-7,10,12,17,26H,3,5,8-9,11,13-14H2,(H,21,27)(H,22,23)/p+1/t17-/m1/s1