3-[(2-morpholin-4-ium-4-ylethylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-[(2-morpholin-4-ium-4-ylethylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(2-morpholin-4-ium-4-ylethylamino)methyl]benzonitrile CAS Name: 3-[[2-(4-morpholin-4-iumyl)ethylamino]methyl]benzonitrile IUPAC Name: 3-[(2-morpholin-4-ium-4-ylethylamino)methyl]benzonitrile Traditional Name: 3-[(2-morpholin-4-ium-4-ylethylamino)methyl]benzonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNCC2=CC=CC(=C2)C#N

Isomeric SMILES

C1COCC[NH+]1CCNCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H19N3O/c15-11-13-2-1-3-14(10-13)12-16-4-5-17-6-8-18-9-7-17/h1-3,10,16H,4-9,12H2/p+1