6-tert-butyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 6-tert-butyl-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C18H23N4+ MolecularWeight: 295.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C18H22N4/c1-18(2,3)15-4-5-16-13(11-15)10-14(12-19)17(21-16)22-8-6-20-7-9-22/h4-5,10-11,20H,6-9H2,1-3H3/p+1