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

Systemtic Name: 7-chloranyl-6-methoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 7-chloro-6-methoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 7-chloro-6-methoxy-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 7-chloro-6-methoxy-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 7-chloro-6-methoxy-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C15H16ClN4O+ MolecularWeight: 303.76674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O/c1-21-14-7-10-6-11(9-17)15(19-13(10)8-12(14)16)20-4-2-18-3-5-20/h6-8,18H,2-5H2,1H3/p+1