6,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 6,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 6,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 6,8-dimethyl-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 6,8-dimethyl-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 6,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C16H19N4+ MolecularWeight: 267.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)N3CC[NH2+]CC3)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)N3CC[NH2+]CC3)C#N)C

InChI

InChI=1S/C16H18N4/c1-11-7-12(2)15-13(8-11)9-14(10-17)16(19-15)20-5-3-18-4-6-20/h7-9,18H,3-6H2,1-2H3/p+1