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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C24H29BrN3O3+ MolecularWeight: 487.40936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CNC4=CC=CC=C43)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CNC4=CC=CC=C43)Br)O

InChI

InChI=1S/C24H28BrN3O3/c1-31-22-13-16(12-20(25)23(22)29)15-28-10-7-17(8-11-28)24(30)26-9-6-18-14-27-21-5-3-2-4-19(18)21/h2-5,12-14,17,27,29H,6-11,15H2,1H3,(H,26,30)/p+1