[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenyl-methanone

Systemtic Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenyl-methanone Openeye Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenyl-methanone CAS Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenylmethanone IUPAC Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenylmethanone Traditional Name: [4-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenyl]-phenyl-methanone Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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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(=O)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N2O3S/c1-2-27(25,26)23(14-6-7-17(15-22)16-23)20-12-10-19(11-13-20)21(24)18-8-4-3-5-9-18/h3-13,16H,2,14-15,22H2,1H3/q+1