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

Systemtic Name: 4-[4-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]butoxy]benzenecarbonitrile Openeye Name: 4-[4-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]butoxy]benzonitrile CAS Name: 4-[4-[(3R,4S)-3,4-dimethyl-1-piperidin-1-iumyl]butoxy]benzonitrile IUPAC Name: 4-[4-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]butoxy]benzonitrile Traditional Name: 4-[4-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]butoxy]benzonitrile Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1C)CCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H]1CC[NH+](C[C@@H]1C)CCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H26N2O/c1-15-9-11-20(14-16(15)2)10-3-4-12-21-18-7-5-17(13-19)6-8-18/h5-8,15-16H,3-4,9-12,14H2,1-2H3/p+1/t15-,16-/m0/s1