3-ethoxy-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]benzaldehyde

Systemtic Name: 3-ethoxy-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]benzaldehyde CAS Name: 3-ethoxy-4-[2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]benzaldehyde Formula: C17H26NO3+ MolecularWeight: 292.39324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCC[NH+]2CCCC(C2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCC[NH+]2CCC[C@H](C2)C

InChI

InChI=1S/C17H25NO3/c1-3-20-17-11-15(13-19)6-7-16(17)21-10-9-18-8-4-5-14(2)12-18/h6-7,11,13-14H,3-5,8-10,12H2,1-2H3/p+1/t14-/m1/s1