2-[[2-(carboxymethyl)-2-hexyl-1,2,3,4-tetrazol-2-ium-5-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(carboxymethyl)-2-hexyl-1,2,3,4-tetrazol-2-ium-5-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(carboxymethyl)-2-hexyl-tetrazol-2-ium-5-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-(carboxymethyl)-2-hexyl-5-tetrazol-2-iumyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(carboxymethyl)-2-hexyltetrazol-2-ium-5-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(carboxymethyl)-2-hexyl-tetrazol-2-ium-5-yl]carbamoyl]benzoic acid Formula: C17H22N5O5+ MolecularWeight: 376.38708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(N=C(N=N1)NC(=O)C2=CC=CC=C2C(=O)O)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(N=C(N=N1)NC(=O)C2=CC=CC=C2C(=O)O)CC(=O)O

InChI

InChI=1S/C17H21N5O5/c1-2-3-4-7-10-22(11-14(23)24)20-17(19-21-22)18-15(25)12-8-5-6-9-13(12)16(26)27/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2-,18,20,23,24,25,26,27)/p+1