3-methyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzo[g][1]benzofuran-2-carbohydrazide

Systemtic Name: 3-methyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzo[g][1]benzofuran-2-carbohydrazide Openeye Name: 3-methyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzo[g]benzofuran-2-carbohydrazide CAS Name: 3-methyl-N'-[1-oxo-3-(1-piperidin-1-iumyl)propyl]-2-benzo[g]benzofurancarbohydrazide IUPAC Name: 3-methyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzo[g][1]benzofuran-2-carbohydrazide Traditional Name: 3-methyl-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzo[g]benzofuran-2-carbohydrazide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NNC(=O)CC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NNC(=O)CC[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O3/c1-15-17-10-9-16-7-3-4-8-18(16)21(17)28-20(15)22(27)24-23-19(26)11-14-25-12-5-2-6-13-25/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,23,26)(H,24,27)/p+1