[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(2-thienylmethyl)ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(2-thenyl)ammonium Formula: C18H20N3O3S+ MolecularWeight: 358.4347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH+](CCO)CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH+](CCO)CC4=CC=CS4

InChI

InChI=1S/C18H19N3O3S/c22-6-5-21(11-15-2-1-7-25-15)10-14-9-19-20-18(14)13-3-4-16-17(8-13)24-12-23-16/h1-4,7-9,22H,5-6,10-12H2,(H,19,20)/p+1