4-[(1S)-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl]benzenecarbonitrile

Systemtic Name: 4-[(1S)-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl]benzenecarbonitrile Openeye Name: 4-[(1S)-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl]benzonitrile CAS Name: 4-[(1S)-1-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]ethyl]benzonitrile IUPAC Name: 4-[(1S)-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl]benzonitrile Traditional Name: 4-[(1S)-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl]benzonitrile Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C#N)NC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C18H27N3/c1-13(15-8-6-14(12-19)7-9-15)20-16-10-17(2,3)21-18(4,5)11-16/h6-9,13,16,20-21H,10-11H2,1-5H3/p+1/t13-/m0/s1