3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]benzaldehyde

Systemtic Name: 3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]benzaldehyde Openeye Name: 3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]benzaldehyde CAS Name: 3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]benzaldehyde IUPAC Name: 3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]benzaldehyde Traditional Name: 3-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]benzaldehyde Formula: C15H19N2O3S+ MolecularWeight: 307.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)C=O

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)C=O

InChI

InChI=1S/C15H19N2O3S/c1-2-21(19,20)17(8-4-6-14(10-16)11-17)15-7-3-5-13(9-15)12-18/h3-7,9,11-12H,2,8,10,16H2,1H3/q+1