6,8-dimethoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 6,8-dimethoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 6,8-dimethoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 6,8-dimethoxy-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 6,8-dimethoxy-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 6,8-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=CC(=C2C(=C1)C=C(C(=N2)N3CC[NH2+]CC3)C#N)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(C(=N2)N3CC[NH2+]CC3)C#N)OC

InChI

InChI=1S/C16H18N4O2/c1-21-13-8-11-7-12(10-17)16(20-5-3-18-4-6-20)19-15(11)14(9-13)22-2/h7-9,18H,3-6H2,1-2H3/p+1