2-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]propanedinitrile

Systemtic Name: 2-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]propanedinitrile Openeye Name: 2-[[2-(1-piperidyl)quinolin-1-ium-3-yl]methylene]propanedinitrile CAS Name: 2-[[2-(1-piperidinyl)-3-quinolin-1-iumyl]methylidene]propanedinitrile IUPAC Name: 2-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]propanedinitrile Traditional Name: 2-[(2-piperidinoquinolin-1-ium-3-yl)methylene]malononitrile Formula: C18H17N4+ MolecularWeight: 289.35438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2C=C(C#N)C#N

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2C=C(C#N)C#N

InChI

InChI=1S/C18H16N4/c19-12-14(13-20)10-16-11-15-6-2-3-7-17(15)21-18(16)22-8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9H2/p+1