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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: (3-methyl-2-thienyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N2O3S/c1-13-4-9-24-17(13)18(21)20-7-5-19(6-8-20)11-14-2-3-15-16(10-14)23-12-22-15/h2-4,9-10H,5-8,11-12H2,1H3/p+1