8-ethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 8-ethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 8-ethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 8-ethyl-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 8-ethyl-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 8-ethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C16H19N4+ MolecularWeight: 267.34886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(C(=C2)C#N)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC=CC2=C1N=C(C(=C2)C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C16H18N4/c1-2-12-4-3-5-13-10-14(11-17)16(19-15(12)13)20-8-6-18-7-9-20/h3-5,10,18H,2,6-9H2,1H3/p+1