1-[(3-bromophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C23H27BrN3O+ MolecularWeight: 441.38398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O/c24-20-5-3-4-17(14-20)16-27-12-9-18(10-13-27)23(28)25-11-8-19-15-26-22-7-2-1-6-21(19)22/h1-7,14-15,18,26H,8-13,16H2,(H,25,28)/p+1