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

Systemtic Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenyl-methanol Openeye Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenyl-methanol CAS Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenylmethanol IUPAC Name: [4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-phenylmethanol Traditional Name: [4-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenyl]-phenyl-methanol Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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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(C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O3S/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/h3-13,16,21,24H,2,14-15,22H2,1H3/q+1