2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzaldehyde

Systemtic Name: 2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzaldehyde Openeye Name: 2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzaldehyde CAS Name: 2,5-dimethyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]benzaldehyde IUPAC Name: 2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzaldehyde Traditional Name: 2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzaldehyde Formula: C16H24NO+ MolecularWeight: 246.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C(=CC(=C2)C)C=O)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C(=CC(=C2)C)C=O)C

InChI

InChI=1S/C16H23NO/c1-12-5-4-6-17(9-12)10-15-7-13(2)8-16(11-18)14(15)3/h7-8,11-12H,4-6,9-10H2,1-3H3/p+1/t12-/m0/s1