4-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzonitrile CAS Name: 4-[2-[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]ethoxy]ethoxy]benzonitrile IUPAC Name: 4-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzonitrile Traditional Name: 4-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzonitrile Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOCCOC2=CC=C(C=C2)C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCOCCOC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H26N2O2/c1-15-11-16(2)14-20(13-15)7-8-21-9-10-22-18-5-3-17(12-19)4-6-18/h3-6,15-16H,7-11,13-14H2,1-2H3/p+1/t15-,16-/m1/s1