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

Systemtic Name: 2-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzaldehyde Openeye Name: 2-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzaldehyde CAS Name: 2-[2-[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]ethoxy]ethoxy]benzaldehyde IUPAC Name: 2-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzaldehyde Traditional Name: 2-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzaldehyde Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOCCOC2=CC=CC=C2C=O)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCOCCOC2=CC=CC=C2C=O)C

InChI

InChI=1S/C18H27NO3/c1-15-11-16(2)13-19(12-15)7-8-21-9-10-22-18-6-4-3-5-17(18)14-20/h3-6,14-16H,7-13H2,1-2H3/p+1/t15-,16-/m1/s1