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

Systemtic Name: [5-(2-chlorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(2-chlorophenyl)-2-furyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(2-chlorophenyl)-2-furanyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(2-chlorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(2-chlorophenyl)-2-furyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H20ClN2O2S+ MolecularWeight: 387.903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H19ClN2O2S/c21-17-4-2-1-3-16(17)18-5-6-19(25-18)20(24)23-10-8-22(9-11-23)13-15-7-12-26-14-15/h1-7,12,14H,8-11,13H2/p+1