[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[2-(2-thienyl)ethyl]ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CCC4=CC=CS4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH2+]CCC4=CC=CS4

InChI

InChI=1S/C19H21N3O2S/c1-22-13-15(12-20-7-6-16-3-2-10-25-16)19(21-22)14-4-5-17-18(11-14)24-9-8-23-17/h2-5,10-11,13,20H,6-9,12H2,1H3/p+1