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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-propylthiophen-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-propyl-3-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-propyl-3-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-propylthiophen-3-yl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(5-propyl-3-thienyl)methanone Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O3S/c1-2-3-17-11-16(13-26-17)20(23)22-8-6-21(7-9-22)12-15-4-5-18-19(10-15)25-14-24-18/h4-5,10-11,13H,2-3,6-9,12,14H2,1H3/p+1