2-(2-piperidin-1-ylquinolin-1-ium-3-yl)ethanenitrile

Systemtic Name: 2-(2-piperidin-1-ylquinolin-1-ium-3-yl)ethanenitrile Openeye Name: 2-[2-(1-piperidyl)quinolin-1-ium-3-yl]acetonitrile CAS Name: 2-[2-(1-piperidinyl)-3-quinolin-1-iumyl]acetonitrile IUPAC Name: 2-(2-piperidin-1-ylquinolin-1-ium-3-yl)acetonitrile Traditional Name: 2-(2-piperidinoquinolin-1-ium-3-yl)acetonitrile Formula: C16H18N3+ MolecularWeight: 252.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2CC#N

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2CC#N

InChI

InChI=1S/C16H17N3/c17-9-8-14-12-13-6-2-3-7-15(13)18-16(14)19-10-4-1-5-11-19/h2-3,6-7,12H,1,4-5,8,10-11H2/p+1