1-(4-methoxyphenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(4-methoxyphenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]-1,2,3,4-tetrazole Openeye Name: 1-(4-methoxyphenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]tetrazole CAS Name: 1-(4-methoxyphenyl)-5-[(E)-2-(1-pyrrolidin-1-iumyl)ethenyl]tetrazole IUPAC Name: 1-(4-methoxyphenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylethenyl]tetrazole Traditional Name: 1-(4-methoxyphenyl)-5-[(E)-2-pyrrolidin-1-ium-1-ylvinyl]tetrazole Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)C=C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)/C=C/[NH+]3CCCC3

InChI

InChI=1S/C14H17N5O/c1-20-13-6-4-12(5-7-13)19-14(15-16-17-19)8-11-18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3/p+1/b11-8+