[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-chloranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-chloranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-chlorobenzothiophen-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-chloro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H20ClN2O3S+ MolecularWeight: 415.9131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H19ClN2O3S/c22-19-15-3-1-2-4-18(15)28-20(19)21(25)24-9-7-23(8-10-24)12-14-5-6-16-17(11-14)27-13-26-16/h1-6,11H,7-10,12-13H2/p+1