5-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-4-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-4-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-indan-2-yl-1,4-diazepan-4-ium-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole CAS Name: 5-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-4-ium-1-yl]methyl]-3-(2-pyrazinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-4-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[(4-indan-2-yl-1,4-diazepan-4-ium-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC2=NC(=NO2)C3=NC=CN=C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+](CCN(C1)CC2=NC(=NO2)C3=NC=CN=C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C21H24N6O/c1-2-5-17-13-18(12-16(17)4-1)27-9-3-8-26(10-11-27)15-20-24-21(25-28-20)19-14-22-6-7-23-19/h1-2,4-7,14,18H,3,8-13,15H2/p+1