7,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile

Systemtic Name: 7,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Openeye Name: 7,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile CAS Name: 7,8-dimethyl-2-(1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 7,8-dimethyl-2-piperazin-4-ium-1-ylquinoline-3-carbonitrile Traditional Name: 7,8-dimethyl-2-piperazin-4-ium-1-yl-quinoline-3-carbonitrile Formula: C16H19N4+ MolecularWeight: 267.34886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CC[NH2+]CC3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CC[NH2+]CC3)C#N)C

InChI

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