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

Systemtic Name: 5-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]-2-methyl-benzaldehyde Openeye Name: 5-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]-2-methyl-benzaldehyde CAS Name: 5-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]-2-methylbenzaldehyde IUPAC Name: 5-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]-2-methylbenzaldehyde Traditional Name: 5-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]-2-methyl-benzaldehyde Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N2O3S/c1-3-22(20,21)18(8-4-5-14(10-17)11-18)16-7-6-13(2)15(9-16)12-19/h4-7,9,11-12H,3,8,10,17H2,1-2H3/q+1