2-ethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]pyridine-3-carbohydrazide

Systemtic Name: 2-ethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]pyridine-3-carbohydrazide Openeye Name: 2-ethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]pyridine-3-carbohydrazide CAS Name: 2-ethoxy-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-3-pyridinecarbohydrazide IUPAC Name: 2-ethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]pyridine-3-carbohydrazide Traditional Name: 2-ethoxy-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]nicotinohydrazide Formula: C21H28N5O3+ MolecularWeight: 398.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-2-29-21-18(9-6-11-22-21)20(28)24-23-19(27)10-12-25-13-15-26(16-14-25)17-7-4-3-5-8-17/h3-9,11H,2,10,12-16H2,1H3,(H,23,27)(H,24,28)/p+1