1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O3S/c23-18(19-7-4-16-26-19)8-9-20(24)22-12-10-21(11-13-22)14-15-25-17-5-2-1-3-6-17/h1-7,16H,8-15H2/p+1