1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-1-carboxylic acid Openeye Name: 1-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-2-(hydroxyamino)-2-oxo-ethyl]piperidin-1-ium-1-carboxylic acid CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(hydroxyamino)-1-oxopropan-2-yl]piperidin-1-ium-1-carboxylic acid Traditional Name: 1-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-2-(hydroxyamino)-2-keto-ethyl]piperidin-1-ium-1-carboxylic acid Formula: C18H26N3O6S+ MolecularWeight: 412.48054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C(CS(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)NO)C(=O)O

Isomeric SMILES

C1CC[N+](CC1)(C(CS(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)NO)C(=O)O

InChI

InChI=1S/C18H25N3O6S/c22-17(19-25)16(21(18(23)24)10-4-1-5-11-21)13-28(26,27)20-9-8-14-6-2-3-7-15(14)12-20/h2-3,6-7,16H,1,4-5,8-13H2,(H2-,19,22,23,24,25)/p+1