1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-2-hydroxy-phenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-chloro-2-hydroxy-benzyl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCC2=CNC3=CC=CC=C32)CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCC2=CNC3=CC=CC=C32)CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C23H26ClN3O2/c24-19-5-6-22(28)18(13-19)15-27-11-8-16(9-12-27)23(29)25-10-7-17-14-26-21-4-2-1-3-20(17)21/h1-6,13-14,16,26,28H,7-12,15H2,(H,25,29)/p+1