5,8-dimethoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 5,8-dimethoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 5,8-dimethoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 5,8-dimethoxy-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 5,8-dimethoxy-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 5,8-dimethoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=NC2=C(C=C1)OC)N3CC[NH2+]CC3)C#N

Isomeric SMILES

COC1=C2C=C(C(=NC2=C(C=C1)OC)N3CC[NH2+]CC3)C#N

InChI

InChI=1S/C16H18N4O2/c1-21-13-3-4-14(22-2)15-12(13)9-11(10-17)16(19-15)20-7-5-18-6-8-20/h3-4,9,18H,5-8H2,1-2H3/p+1