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

Systemtic Name: 3-ethoxy-4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde CAS Name: 3-ethoxy-4-[4-[(3R)-3-methyl-1-piperidin-1-iumyl]butoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3/c1-3-22-19-13-17(15-21)8-9-18(19)23-12-5-4-10-20-11-6-7-16(2)14-20/h8-9,13,15-16H,3-7,10-12,14H2,1-2H3/p+1/t16-/m1/s1