(2S)-2-(2-hydroxyphenyl)-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2S)-2-(2-hydroxyphenyl)-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanenitrile Openeye Name: (2S)-2-(2-hydroxyphenyl)-2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]acetonitrile CAS Name: (2S)-2-(2-hydroxyphenyl)-2-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]acetonitrile IUPAC Name: (2S)-2-(2-hydroxyphenyl)-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]acetonitrile Traditional Name: (2S)-2-(2-hydroxyphenyl)-2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]acetonitrile Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)C(C#N)C3=CC=CC=C3O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)[C@H](C#N)C3=CC=CC=C3O

InChI

InChI=1S/C18H19N3O/c19-12-17(15-7-1-2-9-18(15)22)21-11-4-3-8-16(21)14-6-5-10-20-13-14/h1-2,5-7,9-10,13,16-17,22H,3-4,8,11H2/p+1/t16-,17+/m0/s1