6-chloranyl-7-methyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 6-chloranyl-7-methyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 6-chloro-7-methyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 6-chloro-7-methyl-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 6-chloro-7-methyl-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 6-chloro-7-methyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C15H16ClN4+ MolecularWeight: 287.76734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C(=NC2=C1)N3CC[NH2+]CC3)C#N)Cl

Isomeric SMILES

CC1=C(C=C2C=C(C(=NC2=C1)N3CC[NH2+]CC3)C#N)Cl

InChI

InChI=1S/C15H15ClN4/c1-10-6-14-11(8-13(10)16)7-12(9-17)15(19-14)20-4-2-18-3-5-20/h6-8,18H,2-5H2,1H3/p+1