1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: [2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-piperonyl-ammonium Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O4S/c1-21(12-15-4-5-16-17(11-15)27-14-26-16)13-19(24)22-6-8-23(9-7-22)20(25)18-3-2-10-28-18/h2-5,10-11H,6-9,12-14H2,1H3/p+1