[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-chloranyl-1-benzothiophen-2-yl)methyl]azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-chloranyl-1-benzothiophen-2-yl)methyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-chlorobenzothiophen-2-yl)methyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-chloro-1-benzothiophen-2-yl)methyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-chloro-1-benzothiophen-2-yl)methyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(3-chlorobenzothiophen-2-yl)methyl]ammonium Formula: C20H17ClN3O2S+ MolecularWeight: 398.88588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+]CC4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+]CC4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C20H16ClN3O2S/c21-19-14-3-1-2-4-17(14)27-18(19)10-22-8-13-9-23-24-20(13)12-5-6-15-16(7-12)26-11-25-15/h1-7,9,22H,8,10-11H2,(H,23,24)/p+1