3-methoxy-2-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde

Systemtic Name: 3-methoxy-2-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde Openeye Name: 3-methoxy-2-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde CAS Name: 3-methoxy-2-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]propoxy]benzaldehyde IUPAC Name: 3-methoxy-2-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde Traditional Name: 3-methoxy-2-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzaldehyde Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCOC2=C(C=CC=C2OC)C=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCOC2=C(C=CC=C2OC)C=O

InChI

InChI=1S/C17H25NO3/c1-14-6-4-9-18(12-14)10-5-11-21-17-15(13-19)7-3-8-16(17)20-2/h3,7-8,13-14H,4-6,9-12H2,1-2H3/p+1/t14-/m0/s1