1-(phenylmethyl)-4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid Openeye Name: 1-benzyl-4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid CAS Name: 1-(phenylmethyl)-4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid IUPAC Name: 1-benzyl-4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid Traditional Name: 1-benzyl-4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid Formula: C13H17N2O4S+ MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[N+](=S(=O)=O)C1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[N+](=S(=O)=O)C1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O4S/c16-13(17)12-6-7-14(8-9-15(12)20(18)19)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2/p+1