5-chloranyl-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzaldehyde

Systemtic Name: 5-chloranyl-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzaldehyde Openeye Name: 5-chloro-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzaldehyde CAS Name: 5-chloro-2-[4-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]butoxy]benzaldehyde IUPAC Name: 5-chloro-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzaldehyde Traditional Name: 5-chloro-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzaldehyde Formula: C17H25ClNO3+ MolecularWeight: 326.8383

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCCOC2=C(C=C(C=C2)Cl)C=O

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CCCCOC2=C(C=C(C=C2)Cl)C=O

InChI

InChI=1S/C17H24ClNO3/c1-13-10-19(11-14(2)22-13)7-3-4-8-21-17-6-5-16(18)9-15(17)12-20/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3/p+1/t13-,14-/m1/s1