[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzothiophen-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(benzothiophen-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1-benzothiophen-3-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzothiophen-3-yl)methanone Traditional Name: benzothiophen-3-yl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H21N2O3S+ MolecularWeight: 381.46804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C21H20N2O3S/c24-21(17-13-27-20-4-2-1-3-16(17)20)23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11,13H,7-10,12,14H2/p+1