1,3-benzodioxol-5-ylmethyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: piperonyl-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CN3C4=NC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CN3C4=NC=CS4

InChI

InChI=1S/C16H15N3O2S/c1-2-13(19(6-1)16-18-5-7-22-16)10-17-9-12-3-4-14-15(8-12)21-11-20-14/h1-8,17H,9-11H2/p+1