4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-2-oxidanylidene-1-propyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-2-oxidanylidene-1-propyl-pyridine-3-carbonitrile Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-2-oxo-1-propyl-pyridine-3-carbonitrile CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-2-oxo-1-propyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-2-oxo-1-propylpyridine-3-carbonitrile Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-keto-6-methyl-1-propyl-nicotinonitrile Formula: C16H25N4O+ MolecularWeight: 289.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C(C1=O)C#N)N2CC[NH+](CC2)CC)C

Isomeric SMILES

CCCN1C(=CC(=C(C1=O)C#N)N2CC[NH+](CC2)CC)C

InChI

InChI=1S/C16H24N4O/c1-4-6-20-13(3)11-15(14(12-17)16(20)21)19-9-7-18(5-2)8-10-19/h11H,4-10H2,1-3H3/p+1