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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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