6-(4-methylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile Formula: C16H18N4O2+2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C3=CC4=C(C=C3C=C2C#N)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C3=CC4=C(C=C3C=C2C#N)OCO4

InChI

InChI=1S/C16H16N4O2/c1-19-2-4-20(5-3-19)16-12(9-17)6-11-7-14-15(22-10-21-14)8-13(11)18-16/h6-8H,2-5,10H2,1H3/p+2