6-bromanyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 6-bromanyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 6-bromo-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 6-bromo-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 6-bromo-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 6-bromo-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C14H14BrN4+ MolecularWeight: 318.19176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)Br)C=C2C#N

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)Br)C=C2C#N

InChI

InChI=1S/C14H13BrN4/c15-12-1-2-13-10(8-12)7-11(9-16)14(18-13)19-5-3-17-4-6-19/h1-2,7-8,17H,3-6H2/p+1