methyl 2-methoxy-5-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]methyl]benzoic acid methyl ester Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C19H23N3O5S/c1-26-17-7-5-14(11-16(17)19(23)27-2)12-20-18-8-6-15(13-21-18)28(24,25)22-9-3-4-10-22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,20,21)/p+1