N-[[(3R)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-[4-(4-hydroxybut-1-ynyl)benzyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C#CCCO)CNC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C#CCCO)CNC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C26H29N3O2/c30-15-4-3-6-20-10-12-21(13-11-20)18-29-14-5-7-22(19-29)17-27-26(31)25-16-23-8-1-2-9-24(23)28-25/h1-2,8-13,16,22,28,30H,4-5,7,14-15,17-19H2,(H,27,31)/p+1/t22-/m1/s1