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

Systemtic Name: 3-ethoxy-4-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde CAS Name: 3-ethoxy-4-[3-[(3R)-3-methyl-1-piperidin-1-iumyl]propoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[3-[(3R)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde Formula: C18H28NO3+ MolecularWeight: 306.41982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-3-21-18-12-16(14-20)7-8-17(18)22-11-5-10-19-9-4-6-15(2)13-19/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3/p+1/t15-/m1/s1