4,6-dimethyl-2-(3-morpholin-4-ium-4-ylpropylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(3-morpholin-4-ium-4-ylpropylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(3-morpholin-4-ium-4-ylpropylamino)pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[3-(4-morpholin-4-iumyl)propylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-2-(3-morpholin-4-ium-4-ylpropylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(3-morpholin-4-ium-4-ylpropylamino)pyridin-1-ium-3-carbonitrile Formula: C15H24N4O+2 MolecularWeight: 276.37726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)NCCC[NH+]2CCOCC2)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)NCCC[NH+]2CCOCC2)C

InChI

InChI=1S/C15H22N4O/c1-12-10-13(2)18-15(14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18)/p+2