4-[2-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[(3R,4S)-3,4-dimethyl-1-piperidin-1-iumyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]ethoxy]benzonitrile Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1C)CCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H]1CC[NH+](C[C@@H]1C)CCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H22N2O/c1-13-7-8-18(12-14(13)2)9-10-19-16-5-3-15(11-17)4-6-16/h3-6,13-14H,7-10,12H2,1-2H3/p+1/t13-,14-/m0/s1