4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]-3-ethoxy-benzaldehyde

Systemtic Name: 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]-3-ethoxy-benzaldehyde Openeye Name: 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]-3-ethoxy-benzaldehyde CAS Name: 4-[3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]propoxy]-3-ethoxybenzaldehyde IUPAC Name: 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]-3-ethoxybenzaldehyde Traditional Name: 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]-3-ethoxy-benzaldehyde Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-4-21-18-10-16(13-20)6-7-17(18)22-9-5-8-19-11-14(2)23-15(3)12-19/h6-7,10,13-15H,4-5,8-9,11-12H2,1-3H3/p+1/t14-,15-/m0/s1