2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C22H22N5O3+ MolecularWeight: 404.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c28-27(29)17-7-5-16(6-8-17)22-25-24-21(30-22)14-26-11-9-15(10-12-26)19-13-23-20-4-2-1-3-18(19)20/h1-8,13,15,23H,9-12,14H2/p+1