[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(3-thienylmethyl)ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(3-thenyl)ammonium Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+]CC4=CSC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+]CC4=CSC=C4

InChI

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