N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C29H28N3O4+ MolecularWeight: 482.55032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)[C@H](C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H27N3O4/c33-28(23-17-30-24-9-5-4-8-22(23)24)27(19-6-2-1-3-7-19)32-14-12-20(13-15-32)29(34)31-21-10-11-25-26(16-21)36-18-35-25/h1-11,16-17,20,27,30H,12-15,18H2,(H,31,34)/p+1/t27-/m1/s1