4-methoxy-3-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]benzaldehyde Openeye Name: 4-methoxy-3-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]benzaldehyde CAS Name: 4-methoxy-3-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]benzaldehyde Traditional Name: 4-methoxy-3-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]benzaldehyde Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)C[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)C[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-23-19-8-7-15(14-22)11-17(19)13-21-10-3-2-6-18(21)16-5-4-9-20-12-16/h4-5,7-9,11-12,14,18H,2-3,6,10,13H2,1H3/p+1/t18-/m0/s1