methyl 2-[[6-(2-azanylethanoylamino)-1-methyl-2H-pyridin-1-ium-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[6-(2-azanylethanoylamino)-1-methyl-2H-pyridin-1-ium-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[6-[(2-aminoacetyl)amino]-1-methyl-2H-pyridin-1-ium-1-yl]sulfonyl]benzoate CAS Name: 2-[[6-[(2-amino-1-oxoethyl)amino]-1-methyl-2H-pyridin-1-ium-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-aminoacetyl)amino]-1-methyl-2H-pyridin-1-ium-1-yl]sulfonyl]benzoate Traditional Name: 2-[[6-(glycylamino)-1-methyl-2H-pyridin-1-ium-1-yl]sulfonyl]benzoic acid methyl ester Formula: C16H20N3O5S+ MolecularWeight: 366.4121

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC=CC=C1NC(=O)CN)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

C[N+]1(CC=CC=C1NC(=O)CN)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H19N3O5S/c1-19(10-6-5-9-14(19)18-15(20)11-17)25(22,23)13-8-4-3-7-12(13)16(21)24-2/h3-9H,10-11,17H2,1-2H3/p+1