2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde Openeye Name: 2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde CAS Name: 2-[4-[(3S)-3-methyl-1-piperidin-1-iumyl]butoxy]benzaldehyde IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde Traditional Name: 2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]benzaldehyde Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCOC2=CC=CC=C2C=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCCOC2=CC=CC=C2C=O

InChI

InChI=1S/C17H25NO2/c1-15-7-6-11-18(13-15)10-4-5-12-20-17-9-3-2-8-16(17)14-19/h2-3,8-9,14-15H,4-7,10-13H2,1H3/p+1/t15-/m0/s1