2-[5-methoxy-1-(phenylmethyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentanoic acid

Systemtic Name: 2-[5-methoxy-1-(phenylmethyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentanoic acid Openeye Name: 2-(1-benzyl-5-methoxy-tetrazol-1-ium-1-yl)pentanoic acid CAS Name: 2-[5-methoxy-1-(phenylmethyl)-1-tetrazol-1-iumyl]pentanoic acid IUPAC Name: 2-(1-benzyl-5-methoxytetrazol-1-ium-1-yl)pentanoic acid Traditional Name: 2-(1-benzyl-5-methoxy-tetrazol-1-ium-1-yl)valeric acid Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)[N+]1(C(=NN=N1)OC)CC2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)O)[N+]1(C(=NN=N1)OC)CC2=CC=CC=C2

InChI

InChI=1S/C14H18N4O3/c1-3-7-12(13(19)20)18(14(21-2)15-16-17-18)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3/p+1