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

Systemtic Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-ethoxy-benzaldehyde Openeye Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-ethoxy-benzaldehyde CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]ethoxy]-3-ethoxybenzaldehyde IUPAC Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-ethoxybenzaldehyde Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-ethoxy-benzaldehyde Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-4-21-18-10-16(13-20)5-6-17(18)22-8-7-19-11-14(2)9-15(3)12-19/h5-6,10,13-15H,4,7-9,11-12H2,1-3H3/p+1/t14-,15-/m1/s1