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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(2-thienyl)methanone Formula: C17H19N2O3S+ MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N2O3S/c20-17(16-2-1-9-23-16)19-7-5-18(6-8-19)11-13-3-4-14-15(10-13)22-12-21-14/h1-4,9-10H,5-8,11-12H2/p+1