(5-bromanyl-2-methoxy-phenyl)methyl-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(1-methyl-5-tetrazolyl)thio]ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(1-methyltetrazol-5-yl)thio]ethyl]ammonium Formula: C12H17BrN5OS+ MolecularWeight: 359.26528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC[NH2+]CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CN1C(=NN=N1)SCC[NH2+]CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C12H16BrN5OS/c1-18-12(15-16-17-18)20-6-5-14-8-9-7-10(13)3-4-11(9)19-2/h3-4,7,14H,5-6,8H2,1-2H3/p+1