6-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methylamino]pyridine-3-carbonitrile Openeye Name: 6-[(2-morpholinopyridin-1-ium-4-yl)methylamino]pyridine-3-carbonitrile CAS Name: 6-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methylamino]pyridine-3-carbonitrile Traditional Name: 6-[(2-morpholinopyridin-1-ium-4-yl)methylamino]nicotinonitrile Formula: C16H18N5O+ MolecularWeight: 296.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=CC(=C2)CNC3=NC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C2=[NH+]C=CC(=C2)CNC3=NC=C(C=C3)C#N

InChI

InChI=1S/C16H17N5O/c17-10-14-1-2-15(20-12-14)19-11-13-3-4-18-16(9-13)21-5-7-22-8-6-21/h1-4,9,12H,5-8,11H2,(H,19,20)/p+1