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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile Traditional Name: 6-(4-ethylpiperazin-4-ium-1-yl)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carbonitrile Formula: C17H20N4O2+2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2/c1-2-20-3-5-21(6-4-20)17-13(10-18)7-12-8-15-16(23-11-22-15)9-14(12)19-17/h7-9H,2-6,11H2,1H3/p+2