3-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide

Systemtic Name: 3-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide Openeye Name: 3-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carbohydrazide CAS Name: 3-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarbohydrazide IUPAC Name: 3-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide Traditional Name: 3-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carbohydrazide Formula: C18H20N5O2S+ MolecularWeight: 370.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=[NH+]CCCCC4

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=[NH+]CCCCC4

InChI

InChI=1S/C18H19N5O2S/c1-11-16-12(17(24)22-21-15-7-3-2-4-8-19-15)10-13(14-6-5-9-26-14)20-18(16)25-23-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,21)(H,22,24)/p+1